4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid

C11H10F4O2 — CID 117378294

IUPAC4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H10F4O2/c12-10-7(4-2-6-9(16)17)3-1-5-8(10)11(13,14)15/h1,3,5H,2,4,6H2,(H,16,17)
InChIKeyPFKGDLFPZUTAJP-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.25
Rot. Bonds4

About 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid

4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 117378294) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
PubChem CID117378294
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H10F4O2/c12-10-7(4-2-6-9(16)17)3-1-5-8(10)11(13,14)15/h1,3,5H,2,4,6H2,(H,16,17)
InChIKeyPFKGDLFPZUTAJP-UHFFFAOYSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-difluorophenyl)butanoic acid
CID 59862325
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propanoic acid
CID 67079520
4-(3-bromo-2-fluorophenyl)butanoic acid
CID 83735555
4-[2-(trifluoromethyl)phenyl]butanal;4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 161321713
methyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 175837074
4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
CID 117345129
4-[4-chloro-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108466
4-[3-fluoro-2-(fluoromethyl)phenyl]butanoic acid
CID 117305173
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
4-[2-(trifluoromethyl)anilino]butanoic acid
CID 18071647
tert-butyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 67461831

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid (CID 117378294) is 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid is O=C(O)CCCc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is PFKGDLFPZUTAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c12-10-7(4-2-6-9(16)17)3-1-5-8(10)11(13,14)15/h1,3,5H,2,4,6H2,(H,16,17).
What are the key properties of 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid?
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 250.19 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 117378294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).