3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid

C15H10F2O2 — CID 75177363

IUPAC3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C15H10F2O2/c16-13-4-2-1-3-12(13)11-6-5-10(14(17)9-11)7-8-15(18)19/h1-9H,(H,18,19)
InChIKeySALMOYVOZGQOKS-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.73
Rot. Bonds3

About 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid

3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid (PubChem CID 75177363) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid
PubChem CID75177363
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C15H10F2O2/c16-13-4-2-1-3-12(13)11-6-5-10(14(17)9-11)7-8-15(18)19/h1-9H,(H,18,19)
InChIKeySALMOYVOZGQOKS-UHFFFAOYSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid (CID 75177363) is 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(-c2ccccc2F)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid?
The InChIKey is SALMOYVOZGQOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c16-13-4-2-1-3-12(13)11-6-5-10(14(17)9-11)7-8-15(18)19/h1-9H,(H,18,19).
What are the key properties of 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid?
3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid has a molecular weight of 260.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 75177363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).