(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine

C10H14FN — CID 143981182

IUPAC(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
SMILESC=C/C(=C/CC)C(=NC)C(=C)F
InChIInChI=1S/C10H14FN/c1-5-7-9(6-2)10(12-4)8(3)11/h6-7H,2-3,5H2,1,4H3/b9-7-,12-10+
InChIKeyVGQTYZZJDAWJTL-LBTWLYDDSA-N
MW167.23 g/mol
LogP3.06
Rot. Bonds4

About (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine

(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine (PubChem CID 143981182) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
PubChem CID143981182
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
SMILESC=C/C(=C/CC)C(=NC)C(=C)F
InChIInChI=1S/C10H14FN/c1-5-7-9(6-2)10(12-4)8(3)11/h6-7H,2-3,5H2,1,4H3/b9-7-,12-10+
InChIKeyVGQTYZZJDAWJTL-LBTWLYDDSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.06
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

N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
CID 130413140

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine?
The IUPAC name of (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine (CID 143981182) is (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine is C=C/C(=C/CC)C(=NC)C(=C)F.
What is the InChIKey of (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine?
The InChIKey is VGQTYZZJDAWJTL-LBTWLYDDSA-N. The full InChI is InChI=1S/C10H14FN/c1-5-7-9(6-2)10(12-4)8(3)11/h6-7H,2-3,5H2,1,4H3/b9-7-,12-10+.
What are the key properties of (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine?
(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine has a molecular weight of 167.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine is sourced from PubChem (CID 143981182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).