2-[2-(trifluoromethyl)phenyl]butanoic acid

C11H11F3O2 — CID 62801818

IUPAC2-[2-(trifluoromethyl)phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-2-7(10(15)16)8-5-3-4-6-9(8)11(12,13)14/h3-7H,2H2,1H3,(H,15,16)
InChIKeyXRIPJECWHREVQY-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.28
Rot. Bonds3

About 2-[2-(trifluoromethyl)phenyl]butanoic acid

2-[2-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 62801818) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]butanoic acid
PubChem CID62801818
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2-[2-(trifluoromethyl)phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-2-7(10(15)16)8-5-3-4-6-9(8)11(12,13)14/h3-7H,2H2,1H3,(H,15,16)
InChIKeyXRIPJECWHREVQY-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 66098371
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54908281
2-[2-[chloro(difluoro)methyl]phenyl]butanamide
CID 67505681
2-[2-(trifluoromethyl)phenyl]hexanoyl chloride
CID 58351069
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 117244247
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555
3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CID 66618920
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
7,7-dihydroxy-6-nitro-5-[2-(trifluoromethyl)phenyl]hept-6-en-3-one
CID 135580988
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]butanoic acid (CID 62801818) is 2-[2-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]butanoic acid is CCC(C(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is XRIPJECWHREVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-2-7(10(15)16)8-5-3-4-6-9(8)11(12,13)14/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 2-[2-(trifluoromethyl)phenyl]butanoic acid?
2-[2-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 232.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 62801818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).