1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one

C15H24FNO — CID 143232937

IUPAC1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one
SMILESCC/C=C(\C/C=C\CF)CN1CCCCCC1=O
InChIInChI=1S/C15H24FNO/c1-2-8-14(9-5-6-11-16)13-17-12-7-3-4-10-15(17)18/h5-6,8H,2-4,7,9-13H2,1H3/b6-5-,14-8+
InChIKeyRGAVSBPCOHTUOE-PYLXQBKGSA-N
MW253.36 g/mol
LogP3.64
Rot. Bonds6

About 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one

1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one (PubChem CID 143232937) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one.

Molecular Properties

Compound Name1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one
PubChem CID143232937
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one
SMILESCC/C=C(\C/C=C\CF)CN1CCCCCC1=O
InChIInChI=1S/C15H24FNO/c1-2-8-14(9-5-6-11-16)13-17-12-7-3-4-10-15(17)18/h5-6,8H,2-4,7,9-13H2,1H3/b6-5-,14-8+
InChIKeyRGAVSBPCOHTUOE-PYLXQBKGSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one?
The IUPAC name of 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one (CID 143232937) is 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one.
What is the SMILES notation for 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one?
The canonical SMILES for 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one is CC/C=C(\C/C=C\CF)CN1CCCCCC1=O.
What is the InChIKey of 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one?
The InChIKey is RGAVSBPCOHTUOE-PYLXQBKGSA-N. The full InChI is InChI=1S/C15H24FNO/c1-2-8-14(9-5-6-11-16)13-17-12-7-3-4-10-15(17)18/h5-6,8H,2-4,7,9-13H2,1H3/b6-5-,14-8+.
What are the key properties of 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one?
1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one has a molecular weight of 253.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2E)-6-fluoro-2-propylidenehex-4-enyl]azepan-2-one is sourced from PubChem (CID 143232937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).