2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid

C10H5ClF3NO2 — CID 118799910

IUPAC2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid
SMILESN#Cc1c(CC(=O)O)ccc(Cl)c1C(F)(F)F
InChIInChI=1S/C10H5ClF3NO2/c11-7-2-1-5(3-8(16)17)6(4-15)9(7)10(12,13)14/h1-2H,3H2,(H,16,17)
InChIKeyFEIORHLDOYVTTI-UHFFFAOYSA-N
MW263.60 g/mol
LogP2.86
Rot. Bonds2

About 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid

2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 118799910) has the molecular formula C10H5ClF3NO2 and a molecular weight of 263.60 g/mol. Its IUPAC name is 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid
PubChem CID118799910
Molecular FormulaC10H5ClF3NO2
Molecular Weight263.60 g/mol
Exact Mass263.00
IUPAC Name2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid
SMILESN#Cc1c(CC(=O)O)ccc(Cl)c1C(F)(F)F
InChIInChI=1S/C10H5ClF3NO2/c11-7-2-1-5(3-8(16)17)6(4-15)9(7)10(12,13)14/h1-2H,3H2,(H,16,17)
InChIKeyFEIORHLDOYVTTI-UHFFFAOYSA-N
XLogP2.86
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.60
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic 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

4-chloro-2-cyano-3-(trifluoromethyl)benzoic acid
CID 118845235
2-[2-cyano-4-formyl-3-(trifluoromethyl)phenyl]acetic acid
CID 119007173
2-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]acetic acid
CID 131283200
ethyl 2-[4-(chloromethyl)-2-cyano-3-(trifluoromethyl)phenyl]acetate
CID 134633311
ethyl 2-[2-cyano-4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]acetate
CID 134655342
6-ethyl-2,3-bis(trifluoromethyl)benzonitrile
CID 135742790
2-(3-chloro-2-cyano-4-nitrophenyl)acetic acid
CID 131611730
3-chloro-6-(chloromethyl)-2-cyanobenzoic acid
CID 130848171
3-chloro-2-cyano-6-ethylbenzoic acid
CID 130775405
ethyl 2-[4-chloro-2-cyano-3-(trifluoromethoxy)phenyl]acetate
CID 134653354
2-[2-(chloromethyl)-3-cyano-4-fluorophenyl]acetic acid
CID 131291095
2-[3-bromo-2-cyano-4-(hydroxymethyl)phenyl]acetic acid
CID 131550866

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid (CID 118799910) is 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid is N#Cc1c(CC(=O)O)ccc(Cl)c1C(F)(F)F.
What is the InChIKey of 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is FEIORHLDOYVTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO2/c11-7-2-1-5(3-8(16)17)6(4-15)9(7)10(12,13)14/h1-2H,3H2,(H,16,17).
What are the key properties of 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid?
2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 263.60 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-cyano-3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 118799910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).