(Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride

C11H14FNO — CID 91075809

IUPAC(Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\CC)C1=CC(=O)CCC1
InChIInChI=1S/C11H14FNO/c1-2-4-10(11(12)13)8-5-3-6-9(14)7-8/h4,7,13H,2-3,5-6H2,1H3/b10-4-,13-11-
InChIKeyFSPUYTPEWKGLCH-AJVTVMGNSA-N
MW195.24 g/mol
LogP2.95
Rot. Bonds3

About (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride

(Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride (PubChem CID 91075809) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride
PubChem CID91075809
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\CC)C1=CC(=O)CCC1
InChIInChI=1S/C11H14FNO/c1-2-4-10(11(12)13)8-5-3-6-9(14)7-8/h4,7,13H,2-3,5-6H2,1H3/b10-4-,13-11-
InChIKeyFSPUYTPEWKGLCH-AJVTVMGNSA-N
XLogP2.95
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride?
The IUPAC name of (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride (CID 91075809) is (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride is [H]/N=C(F)/C(=C\CC)C1=CC(=O)CCC1.
What is the InChIKey of (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride?
The InChIKey is FSPUYTPEWKGLCH-AJVTVMGNSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-4-10(11(12)13)8-5-3-6-9(14)7-8/h4,7,13H,2-3,5-6H2,1H3/b10-4-,13-11-.
What are the key properties of (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride?
(Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride has a molecular weight of 195.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-oxocyclohexen-1-yl)pent-2-enimidoyl fluoride is sourced from PubChem (CID 91075809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).