3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid

C9H7ClF2O2 — CID 131151024

IUPAC3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1ccc(Cl)cc1F
InChIInChI=1S/C9H7ClF2O2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2,(H,13,14)
InChIKeyFYHYXGIUYPNQQD-UHFFFAOYSA-N
MW220.60 g/mol
LogP2.44
Rot. Bonds3

About 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid

3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid (PubChem CID 131151024) has the molecular formula C9H7ClF2O2 and a molecular weight of 220.60 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
PubChem CID131151024
Molecular FormulaC9H7ClF2O2
Molecular Weight220.60 g/mol
Exact Mass220.01
IUPAC Name3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1ccc(Cl)cc1F
InChIInChI=1S/C9H7ClF2O2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2,(H,13,14)
InChIKeyFYHYXGIUYPNQQD-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.60
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic 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

2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
2-[(4-bromophenyl)methyl]-3-(4-chloro-2-fluorophenyl)propanoic acid
CID 114851068
3-(3,4-difluorophenyl)-2-fluoropropanoic acid
CID 81357959
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
3-(4-chloro-3-fluorophenyl)-2-fluoropropanoic acid
CID 130820068
(2S)-2-[(4-chloro-2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 58222058
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
3-(2,4-dimethylphenyl)-2-fluoropropanoic acid
CID 81357864
2-[(4-chloro-2-fluorophenyl)methyl]-3-oxopentanenitrile
CID 118295410

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid (CID 131151024) is 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid is O=C(O)C(F)Cc1ccc(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid?
The InChIKey is FYHYXGIUYPNQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2,(H,13,14).
What are the key properties of 3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid?
3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid has a molecular weight of 220.60 g/mol, XLogP of 2.44, 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-fluorophenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 131151024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).