(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine

C11H14FN — CID 166976493

IUPAC(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
SMILESC=C=C/C(CC)=C(F)/C(C)=N/C=C
InChIInChI=1S/C11H14FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h7-8H,1,3,6H2,2,4H3/b11-10-,13-9+
InChIKeyOQENLJUMWFCBPZ-HBUXTHHFSA-N
MW179.24 g/mol
LogP3.57
Rot. Bonds4

About (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine

(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine (PubChem CID 166976493) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
PubChem CID166976493
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
SMILESC=C=C/C(CC)=C(F)/C(C)=N/C=C
InChIInChI=1S/C11H14FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h7-8H,1,3,6H2,2,4H3/b11-10-,13-9+
InChIKeyOQENLJUMWFCBPZ-HBUXTHHFSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-Benzazocine
CID 17846319
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
CID 130341015
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 142927437
5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-3-methyl-2H-pyrrole
CID 143331085
ethane;5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347099
ethane;5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347215
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine?
The IUPAC name of (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine (CID 166976493) is (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine.
What is the SMILES notation for (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine?
The canonical SMILES for (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine is C=C=C/C(CC)=C(F)/C(C)=N/C=C.
What is the InChIKey of (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine?
The InChIKey is OQENLJUMWFCBPZ-HBUXTHHFSA-N. The full InChI is InChI=1S/C11H14FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h7-8H,1,3,6H2,2,4H3/b11-10-,13-9+.
What are the key properties of (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine?
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine has a molecular weight of 179.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine is sourced from PubChem (CID 166976493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).