2-(2,5-difluoro-3-methylphenyl)acetic acid

C9H8F2O2 — CID 118999566

IUPAC2-(2,5-difluoro-3-methylphenyl)acetic acid
SMILESCc1cc(F)cc(CC(=O)O)c1F
InChIInChI=1S/C9H8F2O2/c1-5-2-7(10)3-6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyYFMPAEHGKAROGW-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.90
Rot. Bonds2

About 2-(2,5-difluoro-3-methylphenyl)acetic acid

2-(2,5-difluoro-3-methylphenyl)acetic acid (PubChem CID 118999566) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(2,5-difluoro-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-difluoro-3-methylphenyl)acetic acid
PubChem CID118999566
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(2,5-difluoro-3-methylphenyl)acetic acid
SMILESCc1cc(F)cc(CC(=O)O)c1F
InChIInChI=1S/C9H8F2O2/c1-5-2-7(10)3-6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyYFMPAEHGKAROGW-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenylacetic Acid
CID 999
Ibuprofen, (+-)-
CID 3672
Flurbiprofen
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4-Phenylbutyric Acid
CID 4775
Dexibuprofen
CID 39912
2-Phenylpropionic acid
CID 10296
Esflurbiprofen
CID 72099
Ibufenac
CID 15250
Tarenflurbil
CID 92337
Ibuprofen, (-)-
CID 114864
Benzenepentanoic acid
CID 16757
2-Phenylbutyric Acid
CID 7012

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-3-methylphenyl)acetic acid?
The IUPAC name of 2-(2,5-difluoro-3-methylphenyl)acetic acid (CID 118999566) is 2-(2,5-difluoro-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2,5-difluoro-3-methylphenyl)acetic acid?
The canonical SMILES for 2-(2,5-difluoro-3-methylphenyl)acetic acid is Cc1cc(F)cc(CC(=O)O)c1F.
What is the InChIKey of 2-(2,5-difluoro-3-methylphenyl)acetic acid?
The InChIKey is YFMPAEHGKAROGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-5-2-7(10)3-6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2,5-difluoro-3-methylphenyl)acetic acid?
2-(2,5-difluoro-3-methylphenyl)acetic acid has a molecular weight of 186.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-3-methylphenyl)acetic acid is sourced from PubChem (CID 118999566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).