(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine

C12H14FN — CID 145480550

IUPAC(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
SMILESC=C(C)/C=C\C(=C)C(=C)/C=N\C(=C)F
InChIInChI=1S/C12H14FN/c1-9(2)6-7-10(3)11(4)8-14-12(5)13/h6-8H,1,3-5H2,2H3/b7-6-,14-8-
InChIKeyBDXUKMZSFSNCEN-PMAMELDRSA-N
MW191.25 g/mol
LogP3.74
Rot. Bonds5

About (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine

(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine (PubChem CID 145480550) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine.

Molecular Properties

Compound Name(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
PubChem CID145480550
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
SMILESC=C(C)/C=C\C(=C)C(=C)/C=N\C(=C)F
InChIInChI=1S/C12H14FN/c1-9(2)6-7-10(3)11(4)8-14-12(5)13/h6-8H,1,3-5H2,2H3/b7-6-,14-8-
InChIKeyBDXUKMZSFSNCEN-PMAMELDRSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The IUPAC name of (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine (CID 145480550) is (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine.
What is the SMILES notation for (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The canonical SMILES for (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine is C=C(C)/C=C\C(=C)C(=C)/C=N\C(=C)F.
What is the InChIKey of (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The InChIKey is BDXUKMZSFSNCEN-PMAMELDRSA-N. The full InChI is InChI=1S/C12H14FN/c1-9(2)6-7-10(3)11(4)8-14-12(5)13/h6-8H,1,3-5H2,2H3/b7-6-,14-8-.
What are the key properties of (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine has a molecular weight of 191.25 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine is sourced from PubChem (CID 145480550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).