2-[4-(difluoromethyl)phenyl]acetic acid

C9H8F2O2 — CID 55268127

IUPAC2-[4-(difluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)F)cc1
InChIInChI=1S/C9H8F2O2/c10-9(11)7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChIKeyBZFPRXKQMXOTCW-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.25
Rot. Bonds3

About 2-[4-(difluoromethyl)phenyl]acetic acid

2-[4-(difluoromethyl)phenyl]acetic acid (PubChem CID 55268127) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]acetic acid
PubChem CID55268127
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-[4-(difluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)F)cc1
InChIInChI=1S/C9H8F2O2/c10-9(11)7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChIKeyBZFPRXKQMXOTCW-UHFFFAOYSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid
CID 115033268
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
2-[4-(1,2-diaminoethyl)phenyl]acetic acid
CID 55297408
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
2-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetic acid
CID 171862336
2-[4-(1-aminoprop-2-enyl)phenyl]acetic acid
CID 55273244
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
3-[2-(carboxymethyl)-4-(difluoromethyl)phenyl]propanoic acid
CID 118808140
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]acetic acid (CID 55268127) is 2-[4-(difluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]acetic acid is O=C(O)Cc1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]acetic acid?
The InChIKey is BZFPRXKQMXOTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c10-9(11)7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13).
What are the key properties of 2-[4-(difluoromethyl)phenyl]acetic acid?
2-[4-(difluoromethyl)phenyl]acetic acid has a molecular weight of 186.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 55268127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).