2-[4-(1-fluoroethyl)phenyl]butanoic acid

C12H15FO2 — CID 175420495

IUPAC2-[4-(1-fluoroethyl)phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccc(C(C)F)cc1
InChIInChI=1S/C12H15FO2/c1-3-11(12(14)15)10-6-4-9(5-7-10)8(2)13/h4-8,11H,3H2,1-2H3,(H,14,15)
InChIKeyLCARCFZYZKGARP-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.30
Rot. Bonds4

About 2-[4-(1-fluoroethyl)phenyl]butanoic acid

2-[4-(1-fluoroethyl)phenyl]butanoic acid (PubChem CID 175420495) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-[4-(1-fluoroethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-[4-(1-fluoroethyl)phenyl]butanoic acid
PubChem CID175420495
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-[4-(1-fluoroethyl)phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccc(C(C)F)cc1
InChIInChI=1S/C12H15FO2/c1-3-11(12(14)15)10-6-4-9(5-7-10)8(2)13/h4-8,11H,3H2,1-2H3,(H,14,15)
InChIKeyLCARCFZYZKGARP-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
2-(4-sulfanylphenyl)butanoic acid
CID 19823895
2-[4-(difluoromethylsulfonyl)phenyl]butanoic acid
CID 113428088
2-(4-propan-2-ylsulfanylphenyl)butanoic acid
CID 16640883
2-(4-nitrosophenyl)butanoic acid
CID 175674505
2-(4-benzoylphenyl)butanoic acid
CID 22621594
3-[4-(1-fluoroethyl)phenyl]-2-methylpropanoic acid
CID 84677758
2-(3-fluoro-4-propan-2-ylphenyl)butanoic acid
CID 84789733
2-[4-(propan-2-ylsulfamoyl)phenyl]butanoic acid
CID 113428098
2-[4-(2-aminoethyl)phenyl]butanoic acid;hydrochloride
CID 70571817
2-[4-bis[4-(1-carboxypropyl)phenoxy]phosphoryloxyphenyl]butanoic acid
CID 141489530
2-[4-[cyclopropyl(difluoro)methyl]phenyl]butanoic acid
CID 116992413

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoroethyl)phenyl]butanoic acid?
The IUPAC name of 2-[4-(1-fluoroethyl)phenyl]butanoic acid (CID 175420495) is 2-[4-(1-fluoroethyl)phenyl]butanoic acid.
What is the SMILES notation for 2-[4-(1-fluoroethyl)phenyl]butanoic acid?
The canonical SMILES for 2-[4-(1-fluoroethyl)phenyl]butanoic acid is CCC(C(=O)O)c1ccc(C(C)F)cc1.
What is the InChIKey of 2-[4-(1-fluoroethyl)phenyl]butanoic acid?
The InChIKey is LCARCFZYZKGARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-11(12(14)15)10-6-4-9(5-7-10)8(2)13/h4-8,11H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(1-fluoroethyl)phenyl]butanoic acid?
2-[4-(1-fluoroethyl)phenyl]butanoic acid has a molecular weight of 210.25 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoroethyl)phenyl]butanoic acid is sourced from PubChem (CID 175420495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).