3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid

C16H14ClFO2 — CID 82543264

IUPAC3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(Cl)c(-c2ccccc2F)c1
InChIInChI=1S/C16H14ClFO2/c1-10(8-16(19)20)11-6-7-14(17)13(9-11)12-4-2-3-5-15(12)18/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyGBCUZCFCZXYDSO-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.72
Rot. Bonds4

About 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid

3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid (PubChem CID 82543264) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid
PubChem CID82543264
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(Cl)c(-c2ccccc2F)c1
InChIInChI=1S/C16H14ClFO2/c1-10(8-16(19)20)11-6-7-14(17)13(9-11)12-4-2-3-5-15(12)18/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyGBCUZCFCZXYDSO-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-chloro-3-(2-methylphenyl)phenyl]butanoic acid
CID 82543323
3-[3-(2-fluorophenyl)-4-methoxyphenyl]butanoic acid
CID 82543265
3-[4-fluoro-3-(2-methoxyphenyl)phenyl]butanoic acid
CID 82543204
3-[4-fluoro-3-(2,3,4-trifluorophenyl)phenyl]butanoic acid
CID 110447449
3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid
CID 82543299
3-(3-chlorophenyl)butanoic acid
CID 71683749
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-[4-chloro-3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542679
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
3-[4-(dimethylamino)-3-fluorophenyl]butanoic acid
CID 83389210
3-[4-(2-fluorophenoxy)phenyl]butanoic acid
CID 82306805

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid?
The IUPAC name of 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid (CID 82543264) is 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid?
The canonical SMILES for 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid is CC(CC(=O)O)c1ccc(Cl)c(-c2ccccc2F)c1.
What is the InChIKey of 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid?
The InChIKey is GBCUZCFCZXYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-10(8-16(19)20)11-6-7-14(17)13(9-11)12-4-2-3-5-15(12)18/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid?
3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid has a molecular weight of 292.74 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid is sourced from PubChem (CID 82543264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).