2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid

C16H13ClF2O2 — CID 61495740

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClF2O2/c17-14-2-1-3-15(19)13(14)9-11(16(20)21)8-10-4-6-12(18)7-5-10/h1-7,11H,8-9H2,(H,20,21)
InChIKeyOWYDXUVQOSJGSS-UHFFFAOYSA-N
MW310.73 g/mol
LogP4.10
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid

2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid (PubChem CID 61495740) has the molecular formula C16H13ClF2O2 and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
PubChem CID61495740
Molecular FormulaC16H13ClF2O2
Molecular Weight310.73 g/mol
Exact Mass310.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClF2O2/c17-14-2-1-3-15(19)13(14)9-11(16(20)21)8-10-4-6-12(18)7-5-10/h1-7,11H,8-9H2,(H,20,21)
InChIKeyOWYDXUVQOSJGSS-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 114930793
(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid
CID 42327538
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 107882988
2-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793205
2-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793915
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
CID 65477236
(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide
CID 97076543
2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
CID 54270409
2-[(3-bromophenyl)methyl]-3-(2,6-dichlorophenyl)propanoic acid
CID 60794074
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 102856630
2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
CID 79418299

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid (CID 61495740) is 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(F)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is OWYDXUVQOSJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O2/c17-14-2-1-3-15(19)13(14)9-11(16(20)21)8-10-4-6-12(18)7-5-10/h1-7,11H,8-9H2,(H,20,21).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid?
2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 310.73 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 61495740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).