(E)-N-ethenyl-3-fluorohex-3-en-1-imine

C8H12FN — CID 143495541

IUPAC(E)-N-ethenyl-3-fluorohex-3-en-1-imine
SMILESC=C/N=C/C/C(F)=C\CC
InChIInChI=1S/C8H12FN/c1-3-5-8(9)6-7-10-4-2/h4-5,7H,2-3,6H2,1H3/b8-5+,10-7+
InChIKeyVGRVSZHOAWVMRC-FQOLVZPASA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds4

About (E)-N-ethenyl-3-fluorohex-3-en-1-imine

(E)-N-ethenyl-3-fluorohex-3-en-1-imine (PubChem CID 143495541) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (E)-N-ethenyl-3-fluorohex-3-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-3-fluorohex-3-en-1-imine
PubChem CID143495541
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(E)-N-ethenyl-3-fluorohex-3-en-1-imine
SMILESC=C/N=C/C/C(F)=C\CC
InChIInChI=1S/C8H12FN/c1-3-5-8(9)6-7-10-4-2/h4-5,7H,2-3,6H2,1H3/b8-5+,10-7+
InChIKeyVGRVSZHOAWVMRC-FQOLVZPASA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
CID 134172148
5-fluoro-6-methyl-4H-azepine
CID 142010072
N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
CID 143003949
3-Fluoro-3,5-dimethylazepine
CID 143462932
N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene
CID 143532055
5-Fluoro-3,3-dimethylazepine
CID 143657985
(Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine
CID 166907410
(Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine
CID 167515069
3,3,3-trifluoro-N-[(Z)-pent-1-enyl]propan-1-imine
CID 169603580
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
CID 171558229
2-Fluoro-4,4-dimethylazepine
CID 177210027
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-3-fluorohex-3-en-1-imine?
The IUPAC name of (E)-N-ethenyl-3-fluorohex-3-en-1-imine (CID 143495541) is (E)-N-ethenyl-3-fluorohex-3-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-3-fluorohex-3-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-3-fluorohex-3-en-1-imine is C=C/N=C/C/C(F)=C\CC.
What is the InChIKey of (E)-N-ethenyl-3-fluorohex-3-en-1-imine?
The InChIKey is VGRVSZHOAWVMRC-FQOLVZPASA-N. The full InChI is InChI=1S/C8H12FN/c1-3-5-8(9)6-7-10-4-2/h4-5,7H,2-3,6H2,1H3/b8-5+,10-7+.
What are the key properties of (E)-N-ethenyl-3-fluorohex-3-en-1-imine?
(E)-N-ethenyl-3-fluorohex-3-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-fluorohex-3-en-1-imine is sourced from PubChem (CID 143495541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).