3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid

C11H10F4O2 — CID 132990133

IUPAC3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1cc(F)ccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H10F4O2/c1-6(10(16)17)4-7-5-8(12)2-3-9(7)11(13,14)15/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyFFXVWQHYRNBDQQ-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.11
Rot. Bonds3

About 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid

3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid (PubChem CID 132990133) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid
PubChem CID132990133
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1cc(F)ccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H10F4O2/c1-6(10(16)17)4-7-5-8(12)2-3-9(7)11(13,14)15/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyFFXVWQHYRNBDQQ-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2-amino-2-carboxyethyl)-4-fluorophenyl]-2-methylpropanoic acid
CID 18956372
2-methyl-3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propanoic acid
CID 117468767
3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 84706478
2-methyl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]propanoic acid
CID 117489474
(2S)-2-amino-3-[5-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 93478155
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
CID 53403700
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-2-methylpropanoic acid
CID 117398962
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid (CID 132990133) is 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid is CC(Cc1cc(F)ccc1C(F)(F)F)C(=O)O.
What is the InChIKey of 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The InChIKey is FFXVWQHYRNBDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-6(10(16)17)4-7-5-8(12)2-3-9(7)11(13,14)15/h2-3,5-6H,4H2,1H3,(H,16,17).
What are the key properties of 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid has a molecular weight of 250.19 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 132990133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).