2-(6-chloro-2,3-difluorophenyl)propanoic acid

C9H7ClF2O2 — CID 130512139

IUPAC2-(6-chloro-2,3-difluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C9H7ClF2O2/c1-4(9(13)14)7-5(10)2-3-6(11)8(7)12/h2-4H,1H3,(H,13,14)
InChIKeyUKVAKNRXRAZJSJ-UHFFFAOYSA-N
MW220.60 g/mol
LogP2.81
Rot. Bonds2

About 2-(6-chloro-2,3-difluorophenyl)propanoic acid

2-(6-chloro-2,3-difluorophenyl)propanoic acid (PubChem CID 130512139) has the molecular formula C9H7ClF2O2 and a molecular weight of 220.60 g/mol. Its IUPAC name is 2-(6-chloro-2,3-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(6-chloro-2,3-difluorophenyl)propanoic acid
PubChem CID130512139
Molecular FormulaC9H7ClF2O2
Molecular Weight220.60 g/mol
Exact Mass220.01
IUPAC Name2-(6-chloro-2,3-difluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C9H7ClF2O2/c1-4(9(13)14)7-5(10)2-3-6(11)8(7)12/h2-4H,1H3,(H,13,14)
InChIKeyUKVAKNRXRAZJSJ-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.60
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117317414
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
2-(6-chloro-2,3-dihydroxyphenyl)propanoic acid
CID 117308570
2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid
CID 117336107
2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117328561
2-(2-chloro-6-hydroxyphenyl)propanoic acid
CID 84733802
2-(6-fluoro-2,3-dihydroxyphenyl)propanoic acid
CID 117289034
(2S)-2-(5,6-difluoro-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 176610245
2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
3-(3-chloro-2,6-difluorophenyl)butanoic acid
CID 84698122
2-(6-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117328473
3-(6-chloro-2,3-difluorophenyl)butan-1-amine
CID 130512226

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-difluorophenyl)propanoic acid?
The IUPAC name of 2-(6-chloro-2,3-difluorophenyl)propanoic acid (CID 130512139) is 2-(6-chloro-2,3-difluorophenyl)propanoic acid.
What is the SMILES notation for 2-(6-chloro-2,3-difluorophenyl)propanoic acid?
The canonical SMILES for 2-(6-chloro-2,3-difluorophenyl)propanoic acid is CC(C(=O)O)c1c(Cl)ccc(F)c1F.
What is the InChIKey of 2-(6-chloro-2,3-difluorophenyl)propanoic acid?
The InChIKey is UKVAKNRXRAZJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O2/c1-4(9(13)14)7-5(10)2-3-6(11)8(7)12/h2-4H,1H3,(H,13,14).
What are the key properties of 2-(6-chloro-2,3-difluorophenyl)propanoic acid?
2-(6-chloro-2,3-difluorophenyl)propanoic acid has a molecular weight of 220.60 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-difluorophenyl)propanoic acid is sourced from PubChem (CID 130512139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).