(1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one

C17H10F4O — CID 18760299

IUPAC(1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1c(F)cccc1F)/C=C/c1c(F)cccc1F
InChIInChI=1S/C17H10F4O/c18-14-3-1-4-15(19)12(14)9-7-11(22)8-10-13-16(20)5-2-6-17(13)21/h1-10H/b9-7+,10-8+
InChIKeyJKUNVQJUDRHENU-FIFLTTCUSA-N
MW306.26 g/mol
LogP4.54
Rot. Bonds4

About (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one (PubChem CID 18760299) has the molecular formula C17H10F4O and a molecular weight of 306.26 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one
PubChem CID18760299
Molecular FormulaC17H10F4O
Molecular Weight306.26 g/mol
Exact Mass306.07
IUPAC Name(1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1c(F)cccc1F)/C=C/c1c(F)cccc1F
InChIInChI=1S/C17H10F4O/c18-14-3-1-4-15(19)12(14)9-7-11(22)8-10-13-16(20)5-2-6-17(13)21/h1-10H/b9-7+,10-8+
InChIKeyJKUNVQJUDRHENU-FIFLTTCUSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
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 (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one (CID 18760299) is (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one is O=C(/C=C/c1c(F)cccc1F)/C=C/c1c(F)cccc1F.
What is the InChIKey of (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one?
The InChIKey is JKUNVQJUDRHENU-FIFLTTCUSA-N. The full InChI is InChI=1S/C17H10F4O/c18-14-3-1-4-15(19)12(14)9-7-11(22)8-10-13-16(20)5-2-6-17(13)21/h1-10H/b9-7+,10-8+.
What are the key properties of (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one has a molecular weight of 306.26 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(2,6-difluorophenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 18760299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).