3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid

C10H6ClF5O2 — CID 162738006

IUPAC3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H6ClF5O2/c11-6-2-1-5(4-9(12,13)8(17)18)7(3-6)10(14,15)16/h1-3H,4H2,(H,17,18)
InChIKeyQZOCGXINONSJBU-UHFFFAOYSA-N
MW288.60 g/mol
LogP3.62
Rot. Bonds3

About 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid

3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid (PubChem CID 162738006) has the molecular formula C10H6ClF5O2 and a molecular weight of 288.60 g/mol. Its IUPAC name is 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
PubChem CID162738006
Molecular FormulaC10H6ClF5O2
Molecular Weight288.60 g/mol
Exact Mass288.00
IUPAC Name3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H6ClF5O2/c11-6-2-1-5(4-9(12,13)8(17)18)7(3-6)10(14,15)16/h1-3H,4H2,(H,17,18)
InChIKeyQZOCGXINONSJBU-UHFFFAOYSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic 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

3-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738234
4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108466
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238
3-bromo-4-[4-chloro-2-(trifluoromethyl)phenyl]butan-2-one
CID 55071546
2-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid
CID 57020731
3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
CID 162738183
2-bromo-1-[4-chloro-2-(trifluoromethyl)phenyl]-4,4-dimethylpentan-3-one
CID 63489757
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 171622043
3-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpropanal
CID 91884155
O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117111465
2,2-dimethyl-3-[4-nitro-2-(trifluoromethyl)phenyl]propanoic acid
CID 90422452

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid?
The IUPAC name of 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid (CID 162738006) is 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid?
The canonical SMILES for 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid is O=C(O)C(F)(F)Cc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid?
The InChIKey is QZOCGXINONSJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF5O2/c11-6-2-1-5(4-9(12,13)8(17)18)7(3-6)10(14,15)16/h1-3H,4H2,(H,17,18).
What are the key properties of 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid?
3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid has a molecular weight of 288.60 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid is sourced from PubChem (CID 162738006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).