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

C17H10F4O — CID 68697765

IUPAC1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(F)cc1F)C=Cc1ccc(F)cc1F
InChIInChI=1S/C17H10F4O/c18-13-5-1-11(16(20)9-13)3-7-15(22)8-4-12-2-6-14(19)10-17(12)21/h1-10H
InChIKeyFJOWYNWCEUBVTE-UHFFFAOYSA-N
MW306.26 g/mol
LogP4.54
Rot. Bonds4

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

1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one (PubChem CID 68697765) has the molecular formula C17H10F4O and a molecular weight of 306.26 g/mol. Its IUPAC name is 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
PubChem CID68697765
Molecular FormulaC17H10F4O
Molecular Weight306.26 g/mol
Exact Mass306.07
IUPAC Name1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccc(F)cc1F)C=Cc1ccc(F)cc1F
InChIInChI=1S/C17H10F4O/c18-13-5-1-11(16(20)9-13)3-7-15(22)8-4-12-2-6-14(19)10-17(12)21/h1-10H
InChIKeyFJOWYNWCEUBVTE-UHFFFAOYSA-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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Related Compounds

(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 91413237
(2E,4E)-5-(2,4-difluorophenyl)penta-2,4-dienoic acid
CID 116865813
(E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one
CID 11109165
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
anilino (E)-3-(2,4-difluorophenyl)prop-2-enoate
CID 23333874
(E)-3-(4-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 8832402
methyl (E)-4-(2,4-difluorophenyl)but-3-enoate
CID 165430996
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
2,4-difluoro-1-(2-methylsulfinylethenyl)benzene
CID 67288123
2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
CID 87339541

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one?
The IUPAC name of 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one (CID 68697765) is 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one.
What is the SMILES notation for 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one?
The canonical SMILES for 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one is O=C(C=Cc1ccc(F)cc1F)C=Cc1ccc(F)cc1F.
What is the InChIKey of 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one?
The InChIKey is FJOWYNWCEUBVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4O/c18-13-5-1-11(16(20)9-13)3-7-15(22)8-4-12-2-6-14(19)10-17(12)21/h1-10H.
What are the key properties of 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one?
1,5-bis(2,4-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 1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 68697765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).