2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid

C9H5ClFNO2 — CID 119022246

IUPAC2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid
SMILESN#Cc1cc(CC(=O)O)c(Cl)cc1F
InChIInChI=1S/C9H5ClFNO2/c10-7-3-8(11)6(4-12)1-5(7)2-9(13)14/h1,3H,2H2,(H,13,14)
InChIKeyVNRKGJGJVDERGA-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.98
Rot. Bonds2

About 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid

2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid (PubChem CID 119022246) has the molecular formula C9H5ClFNO2 and a molecular weight of 213.59 g/mol. Its IUPAC name is 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid
PubChem CID119022246
Molecular FormulaC9H5ClFNO2
Molecular Weight213.59 g/mol
Exact Mass213.00
IUPAC Name2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid
SMILESN#Cc1cc(CC(=O)O)c(Cl)cc1F
InChIInChI=1S/C9H5ClFNO2/c10-7-3-8(11)6(4-12)1-5(7)2-9(13)14/h1,3H,2H2,(H,13,14)
InChIKeyVNRKGJGJVDERGA-UHFFFAOYSA-N
XLogP1.98
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid
CID 118816538
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid
CID 131410900
2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid
CID 118811192
2-(2-chloro-4-cyano-6-fluorophenyl)acetic acid
CID 119001594
ethyl 2-chloro-5-cyano-4-fluorobenzoate
CID 134650896
2-(4-amino-5-chloro-2-cyanophenyl)acetic acid
CID 171021426
3-(2-chloro-4,5-difluorophenyl)-2-oxopropanoic acid
CID 19761165
2-(4-bromo-5-cyano-2-hydroxyphenyl)acetic acid
CID 118804843
methyl 2-[2-(chloromethyl)-5-cyano-4-fluorophenyl]acetate
CID 131413132
2-[2-(chloromethyl)-6-cyano-3-fluorophenyl]acetic acid
CID 131291088
2-(2,6-dichloro-3-cyanophenyl)acetic acid
CID 121278950

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid?
The IUPAC name of 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid (CID 119022246) is 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid is N#Cc1cc(CC(=O)O)c(Cl)cc1F.
What is the InChIKey of 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid?
The InChIKey is VNRKGJGJVDERGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO2/c10-7-3-8(11)6(4-12)1-5(7)2-9(13)14/h1,3H,2H2,(H,13,14).
What are the key properties of 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid?
2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid has a molecular weight of 213.59 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid is sourced from PubChem (CID 119022246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).