3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid

C10H7ClF2O2 — CID 121209337

IUPAC3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)C1C(c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15)
InChIKeyHKOSNDJFLFJRPX-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid

3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid (PubChem CID 121209337) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
PubChem CID121209337
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Name3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)C1C(c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15)
InChIKeyHKOSNDJFLFJRPX-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid 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

cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 129322641
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
CID 95241079
(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
trans-(1R,3R)-2,2-dichloro-3-(4-fluoro-3-iodophenyl)cyclopropane-1-carboxylic acid
CID 140860488
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
cis-methyl (1S,3R)-3-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 177310647
2,2-dichloro-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]cyclopropane-1-carboxylic acid
CID 122615521
trans-(1S,3S)-3-(3-fluoro-4-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178202838
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 122618346

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid (CID 121209337) is 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid is O=C(O)C1C(c2ccc(Cl)cc2)C1(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The InChIKey is HKOSNDJFLFJRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15).
What are the key properties of 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid has a molecular weight of 232.61 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 121209337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).