2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid

C16H14F2O2 — CID 150832531

IUPAC2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid
SMILESCc1ccc(-c2ccc(C(C)C(=O)O)cc2F)cc1F
InChIInChI=1S/C16H14F2O2/c1-9-3-4-12(8-14(9)17)13-6-5-11(7-15(13)18)10(2)16(19)20/h3-8,10H,1-2H3,(H,19,20)
InChIKeyKMGOZWNALDTAFE-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.13
Rot. Bonds3

About 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid

2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid (PubChem CID 150832531) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid
PubChem CID150832531
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid
SMILESCc1ccc(-c2ccc(C(C)C(=O)O)cc2F)cc1F
InChIInChI=1S/C16H14F2O2/c1-9-3-4-12(8-14(9)17)13-6-5-11(7-15(13)18)10(2)16(19)20/h3-8,10H,1-2H3,(H,19,20)
InChIKeyKMGOZWNALDTAFE-UHFFFAOYSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid (CID 150832531) is 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid is Cc1ccc(-c2ccc(C(C)C(=O)O)cc2F)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid?
The InChIKey is KMGOZWNALDTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-9-3-4-12(8-14(9)17)13-6-5-11(7-15(13)18)10(2)16(19)20/h3-8,10H,1-2H3,(H,19,20).
What are the key properties of 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid?
2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid has a molecular weight of 276.28 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 150832531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).