3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid

C15H11ClF2O2 — CID 115983260

IUPAC3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H11ClF2O2/c16-14-10(2-1-3-13(14)18)8-12(15(19)20)9-4-6-11(17)7-5-9/h1-7,12H,8H2,(H,19,20)
InChIKeyGDBWWYKZBJBGTI-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.03
Rot. Bonds4

About 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid

3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid (PubChem CID 115983260) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
PubChem CID115983260
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H11ClF2O2/c16-14-10(2-1-3-13(14)18)8-12(15(19)20)9-4-6-11(17)7-5-9/h1-7,12H,8H2,(H,19,20)
InChIKeyGDBWWYKZBJBGTI-UHFFFAOYSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
CID 115983264
2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid
CID 79440089
2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 82160886
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one
CID 115797326
4-amino-1-(2-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 116567097
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930825
3-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)propanoic acid
CID 112749439
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83952263
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid (CID 115983260) is 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid is O=C(O)C(Cc1cccc(F)c1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is GDBWWYKZBJBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c16-14-10(2-1-3-13(14)18)8-12(15(19)20)9-4-6-11(17)7-5-9/h1-7,12H,8H2,(H,19,20).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid?
3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 296.70 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 115983260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).