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Molecule
ID:59453
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₀F₂
Molecular Mass
120.1404064
Exact Mass
120.07505676
Charge
0
InChI
InChI=1S/C6H10F2/c7-6(8)4-2-1-3-5-6/h1-5H2
InChIKey
ZORQXIQZAOLNGE-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CCCCC1
Isomeric Smiles
C1CCC(CC1)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1542683
LogD (pH = 7.4)
2.1542683
Log P
2.1542683
Molar Refractivity
28.2018
Polarizability
10.564113
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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JChem
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IUPAC Traditional name
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IUPAC name
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Synonyms
Registration numbers
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PubChem SID
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PubChem CID
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CAS Number
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MDL Number
Properties
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC0686
Matrix Scientific
064644
Academic Data
PubChem
164586
Names and Identifiers
IUPAC Traditional name
1,1-difluorocyclohexane
IUPAC name
1,1-difluorocyclohexane
Synonyms
1,1-Difluorocyclohexane
4,4-Difluorocyclohexane
Registration numbers
PubChem SID
162064216
PubChem CID
164586
CAS Number
371-90-4
MDL Number
MFCD03788491
Properties
Safety Information
MSDS Link
Download link
Source
Storage Warning
IRRITANT
Source
Irritant
Source
TSCA Listed
false
Source
Product Information
Purity
95%
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay