2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid

C10H9F3O2 — CID 165489779

IUPAC2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(C(F)F)c1F
InChIInChI=1S/C10H9F3O2/c1-5(10(14)15)6-3-2-4-7(8(6)11)9(12)13/h2-5,9H,1H3,(H,14,15)
InChIKeyGRKRRUMCUVEXBD-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.95
Rot. Bonds3

About 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid

2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid (PubChem CID 165489779) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
PubChem CID165489779
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(C(F)F)c1F
InChIInChI=1S/C10H9F3O2/c1-5(10(14)15)6-3-2-4-7(8(6)11)9(12)13/h2-5,9H,1H3,(H,14,15)
InChIKeyGRKRRUMCUVEXBD-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2-fluorophenyl)propanoic acid
CID 83723745
(2S)-2-acetamidopropanoic acid;(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine
CID 175847795
2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid
CID 175420502
2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid
CID 165489781
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
3-[2-(difluoromethyl)-3-fluorophenyl]butanoic acid
CID 84695364
2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84728987
3-(3-bromo-2-fluorophenyl)butan-2-one
CID 117046957
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid?
The IUPAC name of 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid (CID 165489779) is 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid is CC(C(=O)O)c1cccc(C(F)F)c1F.
What is the InChIKey of 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid?
The InChIKey is GRKRRUMCUVEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-5(10(14)15)6-3-2-4-7(8(6)11)9(12)13/h2-5,9H,1H3,(H,14,15).
What are the key properties of 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid?
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid has a molecular weight of 218.17 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid is sourced from PubChem (CID 165489779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).