(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid

C15H10F2O2 — CID 46312483

IUPAC(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cc(F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H10F2O2/c16-12-4-1-10(2-5-12)14-7-6-13(17)9-11(14)3-8-15(18)19/h1-9H,(H,18,19)/b8-3+
InChIKeyLOGFPTKQJKYXSQ-FPYGCLRLSA-N
MW260.24 g/mol
LogP3.73
Rot. Bonds3

About (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid

(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid (PubChem CID 46312483) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid
PubChem CID46312483
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cc(F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H10F2O2/c16-12-4-1-10(2-5-12)14-7-6-13(17)9-11(14)3-8-15(18)19/h1-9H,(H,18,19)/b8-3+
InChIKeyLOGFPTKQJKYXSQ-FPYGCLRLSA-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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Related Compounds

3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 75177433
(E)-3-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 118822082
(E)-3-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134622161
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid
CID 134627735
3-(4-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460407
3-(2-amino-5-fluorophenyl)prop-2-enoic acid
CID 123339785
3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460406
(E)-3-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313359
(E)-3-[2-(3-fluorophenyl)-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313346
3-(2-amino-4-fluorophenyl)prop-2-enoic acid
CID 169460317
3-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 75177398

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid (CID 46312483) is (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1cc(F)ccc1-c1ccc(F)cc1.
What is the InChIKey of (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid?
The InChIKey is LOGFPTKQJKYXSQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H10F2O2/c16-12-4-1-10(2-5-12)14-7-6-13(17)9-11(14)3-8-15(18)19/h1-9H,(H,18,19)/b8-3+.
What are the key properties of (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid?
(E)-3-[5-fluoro-2-(4-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 (E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 46312483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).