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Molecule
ID:11953
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀H₁₁F
Molecular Mass
150.1927432
Exact Mass
150.08447857
Charge
0
InChI
InChI=1S/C10H11F/c1-2-3-4-9-5-7-10(11)8-6-9/h2,5-8H,1,3-4H2
InChIKey
FFFAIJCWQUVINB-UHFFFAOYSA-N
Canonic Smiles
C=CCCc1ccc(cc1)F
Isomeric Smiles
C=CCCc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6590872
LogD (pH = 7.4)
3.6590872
Log P
3.6590872
Molar Refractivity
45.1627
Polarizability
17.025448
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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Molecule Details
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Data Source
Commercial Catalog
Matrix Scientific
008963
Apollo Scientific
PC5777
Academic Data
PubChem
2782359
Names and Identifiers
Synonyms
4-(But-3-en-1-yl)fluorobenzene
4-(4-Fluorophenyl)but-1-ene
1-(But-3-en-1-yl)-4-fluorobenzene
4-(4-Fluorophenyl)-1-butene
IUPAC name
1-(but-3-en-1-yl)-4-fluorobenzene
IUPAC Traditional name
1-(but-3-en-1-yl)-4-fluorobenzene
Registration numbers
MDL Number
MFCD00671360
CAS Number
2248-13-7
PubChem CID
2782359
PubChem SID
160975260
Properties
Product Information
Purity
97%
Source
Safety Information
Storage Warning
IRRITANT
Source
Flammable
Source
TSCA Listed
false
Source
MSDS Link
Download link
Source
Physical Property
Density
0.97
Source
Boiling Point
72°C/9mm
Source
Flash Point
56°C
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay