2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid

C10H8FNO2 — CID 67513919

IUPAC2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid
SMILESCc1c(CC(=O)O)ccc(C#N)c1F
InChIInChI=1S/C10H8FNO2/c1-6-7(4-9(13)14)2-3-8(5-12)10(6)11/h2-3H,4H2,1H3,(H,13,14)
InChIKeyNQUHEBRKLDCNFF-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.63
Rot. Bonds2

About 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid

2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid (PubChem CID 67513919) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid
PubChem CID67513919
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid
SMILESCc1c(CC(=O)O)ccc(C#N)c1F
InChIInChI=1S/C10H8FNO2/c1-6-7(4-9(13)14)2-3-8(5-12)10(6)11/h2-3H,4H2,1H3,(H,13,14)
InChIKeyNQUHEBRKLDCNFF-UHFFFAOYSA-N
XLogP1.63
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-cyano-3-fluorophenyl)acetic acid
CID 118999427
2-(6-cyano-2-fluoro-3-methylphenyl)acetic acid
CID 131168116
2-[4-cyano-3-(hydroxymethyl)-2-methylphenyl]acetic acid
CID 118827501
2-(3-bromo-4-cyano-2-fluorophenyl)acetic acid
CID 130776363
2-(4-cyano-3-methyl-2-sulfanylphenyl)acetic acid
CID 118833062
4-acetyl-2-fluoro-3-methylbenzonitrile
CID 131525272
2-(4-cyano-2-formyl-3-methylphenyl)acetic acid
CID 118816571
2-[2-(chloromethyl)-4-cyano-3-methylphenyl]acetic acid
CID 131595590
ethyl 4-cyano-3-fluoro-2-methylbenzoate
CID 134633399
2-(3-cyano-2-methyl-6-sulfanylphenyl)acetic acid
CID 130838412
3-cyano-6-ethyl-2-methylbenzoic acid
CID 130951339
2-(3-cyano-2,6-diethylphenyl)acetic acid
CID 135742920

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid?
The IUPAC name of 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid (CID 67513919) is 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid is Cc1c(CC(=O)O)ccc(C#N)c1F.
What is the InChIKey of 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid?
The InChIKey is NQUHEBRKLDCNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6-7(4-9(13)14)2-3-8(5-12)10(6)11/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid?
2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid has a molecular weight of 193.18 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluoro-2-methylphenyl)acetic acid is sourced from PubChem (CID 67513919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).