2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid

C11H9F5O2 — CID 175420502

IUPAC2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1c(C(F)F)cccc1C(F)(F)F
InChIInChI=1S/C11H9F5O2/c1-5(10(17)18)8-6(9(12)13)3-2-4-7(8)11(14,15)16/h2-5,9H,1H3,(H,17,18)
InChIKeyMEFDRPTUWUEAAN-UHFFFAOYSA-N
MW268.18 g/mol
LogP3.83
Rot. Bonds3

About 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid

2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 175420502) has the molecular formula C11H9F5O2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid
PubChem CID175420502
Molecular FormulaC11H9F5O2
Molecular Weight268.18 g/mol
Exact Mass268.05
IUPAC Name2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1c(C(F)F)cccc1C(F)(F)F
InChIInChI=1S/C11H9F5O2/c1-5(10(17)18)8-6(9(12)13)3-2-4-7(8)11(14,15)16/h2-5,9H,1H3,(H,17,18)
InChIKeyMEFDRPTUWUEAAN-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid
CID 129389983
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
2-[2,3-dihydroxy-6-(trifluoromethyl)phenyl]propanoic acid
CID 117378281
1-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propan-1-one
CID 134617274
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84728987
2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704413
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412
2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196564
3-[2-hydroxy-3-(trifluoromethyl)phenyl]butanoic acid
CID 84706479
2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylpropanoic acid
CID 165489781

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid (CID 175420502) is 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid is CC(C(=O)O)c1c(C(F)F)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is MEFDRPTUWUEAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O2/c1-5(10(17)18)8-6(9(12)13)3-2-4-7(8)11(14,15)16/h2-5,9H,1H3,(H,17,18).
What are the key properties of 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid?
2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 268.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 175420502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).