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Molecule
ID:94729
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂ClF₆P
Molecular Mass
204.4385802
Exact Mass
203.93303363
Charge
0
InChI
InChI=1S/C2ClF6P/c3-10(1(4,5)6)2(7,8)9
InChIKey
SLPNGGHOLGPULH-UHFFFAOYSA-N
Canonic Smiles
ClP(C(F)(F)F)C(F)(F)F
Isomeric Smiles
P(C(F)(F)F)(Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2661
LogD (pH = 7.4)
4.2661
Log P
4.2661
Molar Refractivity
22.8877
Polarizability
9.230665
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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Molecule Details
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Data Source
Commercial Catalog
Apollo Scientific
PC2257
Academic Data
PubChem
136463
Names and Identifiers
IUPAC Traditional name
chlorobis(trifluoromethyl)phosphane
IUPAC name
chlorobis(trifluoromethyl)phosphane
Synonyms
Bis(trifluoromethyl)chlorophosphine 97%
Registration numbers
CAS Number
650-52-2
MDL Number
MFCD04116428
PubChem SID
162081383
PubChem CID
136463
Properties
Safety Information
Storage Warning
Corrosive/Flammable
Source
References
PubChem Literature
No Data Available
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Bioactivity
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