(6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one

C15H13FO — CID 155667039

IUPAC(6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one
SMILESO=C1C=CCC/C1=C\C=C\c1ccc(F)cc1
InChIInChI=1S/C15H13FO/c16-14-10-8-12(9-11-14)4-3-6-13-5-1-2-7-15(13)17/h2-4,6-11H,1,5H2/b4-3+,13-6+
InChIKeyZTVSZKAYYZEJGI-HNVWBLJASA-N
MW228.27 g/mol
LogP3.68
Rot. Bonds2

About (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one

(6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one (PubChem CID 155667039) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one
PubChem CID155667039
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name(6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one
SMILESO=C1C=CCC/C1=C\C=C\c1ccc(F)cc1
InChIInChI=1S/C15H13FO/c16-14-10-8-12(9-11-14)4-3-6-13-5-1-2-7-15(13)17/h2-4,6-11H,1,5H2/b4-3+,13-6+
InChIKeyZTVSZKAYYZEJGI-HNVWBLJASA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.68
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 (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one?
The IUPAC name of (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one (CID 155667039) is (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one.
What is the SMILES notation for (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one?
The canonical SMILES for (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one is O=C1C=CCC/C1=C\C=C\c1ccc(F)cc1.
What is the InChIKey of (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one?
The InChIKey is ZTVSZKAYYZEJGI-HNVWBLJASA-N. The full InChI is InChI=1S/C15H13FO/c16-14-10-8-12(9-11-14)4-3-6-13-5-1-2-7-15(13)17/h2-4,6-11H,1,5H2/b4-3+,13-6+.
What are the key properties of (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one?
(6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one has a molecular weight of 228.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(E)-3-(4-fluorophenyl)prop-2-enylidene]cyclohex-2-en-1-one is sourced from PubChem (CID 155667039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).