5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid

C17H12F2O2 — CID 54369783

IUPAC5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid
SMILESO=C(O)C=CC=C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H12F2O2/c18-14-6-1-4-12(10-14)16(8-3-9-17(20)21)13-5-2-7-15(19)11-13/h1-11H,(H,20,21)
InChIKeyUSIQYILPJJYRPZ-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.04
Rot. Bonds4

About 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid

5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid (PubChem CID 54369783) has the molecular formula C17H12F2O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid
PubChem CID54369783
Molecular FormulaC17H12F2O2
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid
SMILESO=C(O)C=CC=C(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H12F2O2/c18-14-6-1-4-12(10-14)16(8-3-9-17(20)21)13-5-2-7-15(19)11-13/h1-11H,(H,20,21)
InChIKeyUSIQYILPJJYRPZ-UHFFFAOYSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 14347301
5-phenyl-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91238764
(2E,4E)-5-(3-cyanophenyl)-5-(4-methylphenyl)penta-2,4-dienoic acid
CID 87599452
(2E)-5,5-bis(4-chlorophenyl)penta-2,4-dienoic acid
CID 14347245
(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid
CID 87598874
(2E,4Z)-5-bromo-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87620055
2-(3-fluorophenyl)but-2-enoic acid
CID 67719232
3-fluorobenzoyl bromide
CID 20822510
(2E,4Z)-5-(3-cyclobutyloxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 151033384
(2E,4Z)-5-chloro-5-(4-fluorophenyl)penta-2,4-dienoic acid
CID 121224628
4-(3-fluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid
CID 85213230
5-(3-cyano-4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91066712

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid?
The IUPAC name of 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid (CID 54369783) is 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid.
What is the SMILES notation for 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid?
The canonical SMILES for 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid is O=C(O)C=CC=C(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid?
The InChIKey is USIQYILPJJYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2O2/c18-14-6-1-4-12(10-14)16(8-3-9-17(20)21)13-5-2-7-15(19)11-13/h1-11H,(H,20,21).
What are the key properties of 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid?
5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid has a molecular weight of 286.28 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 54369783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).