(2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one

C15H13FO — CID 145193587

IUPAC(2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one
SMILESC=C/C=C(/C=C/C(=O)c1ccccc1)C(=C)F
InChIInChI=1S/C15H13FO/c1-3-7-13(12(2)16)10-11-15(17)14-8-5-4-6-9-14/h3-11H,1-2H2/b11-10+,13-7-
InChIKeyPPUWWWOEKYAHNS-DZSAWWLQSA-N
MW228.27 g/mol
LogP4.02
Rot. Bonds5

About (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one

(2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one (PubChem CID 145193587) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name(2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one
PubChem CID145193587
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name(2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one
SMILESC=C/C=C(/C=C/C(=O)c1ccccc1)C(=C)F
InChIInChI=1S/C15H13FO/c1-3-7-13(12(2)16)10-11-15(17)14-8-5-4-6-9-14/h3-11H,1-2H2/b11-10+,13-7-
InChIKeyPPUWWWOEKYAHNS-DZSAWWLQSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
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)-1-phenylpenta-2,4-dien-1-one
CID 11019140
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
(2Z)-2-benzoylpenta-2,4-dienethial
CID 146179532
[(3E)-3-ethenylhexa-1,3,5-trien-2-yl] benzoate
CID 143295221
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
CID 15866325
1-phenyldeca-2,7,9-trien-1-one
CID 71347729
(E)-4-[4-(2-fluorophenyl)phenyl]-4-oxobut-2-enoic acid
CID 21437942
methanamine;1-phenylprop-2-en-1-one
CID 91395058
(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one?
The IUPAC name of (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one (CID 145193587) is (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one.
What is the SMILES notation for (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one?
The canonical SMILES for (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one is C=C/C=C(/C=C/C(=O)c1ccccc1)C(=C)F.
What is the InChIKey of (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one?
The InChIKey is PPUWWWOEKYAHNS-DZSAWWLQSA-N. The full InChI is InChI=1S/C15H13FO/c1-3-7-13(12(2)16)10-11-15(17)14-8-5-4-6-9-14/h3-11H,1-2H2/b11-10+,13-7-.
What are the key properties of (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one?
(2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one has a molecular weight of 228.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one is sourced from PubChem (CID 145193587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).