(1-chloro-2,2,3,3-tetrafluoropropyl)benzene

C9H7ClF4 — CID 79659838

IUPAC(1-chloro-2,2,3,3-tetrafluoropropyl)benzene
SMILESFC(F)C(F)(F)C(Cl)c1ccccc1
InChIInChI=1S/C9H7ClF4/c10-7(9(13,14)8(11)12)6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyWWKHFWIFOMDGII-UHFFFAOYSA-N
MW226.60 g/mol
LogP3.87
Rot. Bonds3

About (1-chloro-2,2,3,3-tetrafluoropropyl)benzene

(1-chloro-2,2,3,3-tetrafluoropropyl)benzene (PubChem CID 79659838) has the molecular formula C9H7ClF4 and a molecular weight of 226.60 g/mol. Its IUPAC name is (1-chloro-2,2,3,3-tetrafluoropropyl)benzene.

Molecular Properties

Compound Name(1-chloro-2,2,3,3-tetrafluoropropyl)benzene
PubChem CID79659838
Molecular FormulaC9H7ClF4
Molecular Weight226.60 g/mol
Exact Mass226.02
IUPAC Name(1-chloro-2,2,3,3-tetrafluoropropyl)benzene
SMILESFC(F)C(F)(F)C(Cl)c1ccccc1
InChIInChI=1S/C9H7ClF4/c10-7(9(13,14)8(11)12)6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyWWKHFWIFOMDGII-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.60
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (1-chloro-2,2,3,3-tetrafluoropropyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-chloro-2,2,3,3-tetrafluoropropyl)naphthalene
CID 79660379
(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene
CID 14687264
(1-chloro-1,2-diphenylpropan-2-yl)benzene
CID 146405776
dichloromethylbenzene
CID 7411
[fluoro(fluoro)methyl]benzene
CID 146164458
[(1S,2S)-1-chloro-3,3,3-trifluoro-2-methylpropyl]benzene
CID 129384644
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591
(Chlorobenzyl)silane
CID 23051080
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
(1,1,2-trichloro-2-phenylethyl)phosphonic acid
CID 159173416
3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
CID 164681881
(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene
CID 139245434

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2,2,3,3-tetrafluoropropyl)benzene?
The IUPAC name of (1-chloro-2,2,3,3-tetrafluoropropyl)benzene (CID 79659838) is (1-chloro-2,2,3,3-tetrafluoropropyl)benzene.
What is the SMILES notation for (1-chloro-2,2,3,3-tetrafluoropropyl)benzene?
The canonical SMILES for (1-chloro-2,2,3,3-tetrafluoropropyl)benzene is FC(F)C(F)(F)C(Cl)c1ccccc1.
What is the InChIKey of (1-chloro-2,2,3,3-tetrafluoropropyl)benzene?
The InChIKey is WWKHFWIFOMDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF4/c10-7(9(13,14)8(11)12)6-4-2-1-3-5-6/h1-5,7-8H.
What are the key properties of (1-chloro-2,2,3,3-tetrafluoropropyl)benzene?
(1-chloro-2,2,3,3-tetrafluoropropyl)benzene has a molecular weight of 226.60 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2,2,3,3-tetrafluoropropyl)benzene is sourced from PubChem (CID 79659838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).