3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid

C16H14ClFO2 — CID 123638561

IUPAC3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid
SMILESO=C(O)CC(Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFO2/c17-14-5-3-12(4-6-14)13(10-16(19)20)9-11-1-7-15(18)8-2-11/h1-8,13H,9-10H2,(H,19,20)
InChIKeyQOFLQUQAHAPGLO-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.28
Rot. Bonds5

About 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid

3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid (PubChem CID 123638561) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid
PubChem CID123638561
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid
SMILESO=C(O)CC(Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFO2/c17-14-5-3-12(4-6-14)13(10-16(19)20)9-11-1-7-15(18)8-2-11/h1-8,13H,9-10H2,(H,19,20)
InChIKeyQOFLQUQAHAPGLO-UHFFFAOYSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
CID 16197
Bis(4-chlorophenyl)acetic acid
CID 6730
3,3,3-Tris(4-chlorophenyl)propanoic acid
CID 75107
beta-(p-Chlorophenyl)propionic acid
CID 123137
3-(4-Chlorophenyl) glutarate
CID 607276
2,2-Dichloro-12-(p-chlorophenyl)-dodecanoic acid
CID 9929731
1-(4-Chlorophenyl)cyclohexanecarboxylic acid
CID 100873
4-(4-Chlorophenyl)butanoic acid
CID 259740
DL-2-(4-chlorophenyl)propanoic acid
CID 102525
7-(4-Chlorophenyl)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)heptanoic acid
CID 15616467
3-[4-[2-(2-Chlorophenyl)ethynyl]phenyl]propanoic acid
CID 58319121
2-(4-Chloro-3-fluoro-4''-trifluoromethyl-[1,1';3',1'']terphenyl-5'-yl)-4-methyl-pentanoic acid
CID 59004757

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid (CID 123638561) is 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid is O=C(O)CC(Cc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid?
The InChIKey is QOFLQUQAHAPGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-14-5-3-12(4-6-14)13(10-16(19)20)9-11-1-7-15(18)8-2-11/h1-8,13H,9-10H2,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid?
3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid has a molecular weight of 292.74 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(4-fluorophenyl)butanoic acid is sourced from PubChem (CID 123638561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).