(Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine

C10H14FN — CID 156637741

IUPAC(Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine
SMILESC=C(F)/N=C(\C)C(=C)C(=C)CC
InChIInChI=1S/C10H14FN/c1-6-7(2)8(3)9(4)12-10(5)11/h2-3,5-6H2,1,4H3/b12-9-
InChIKeyACCHEEMKBWAQEZ-XFXZXTDPSA-N
MW167.23 g/mol
LogP3.41
Rot. Bonds4

About (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine

(Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine (PubChem CID 156637741) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine.

Molecular Properties

Compound Name(Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine
PubChem CID156637741
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine
SMILESC=C(F)/N=C(\C)C(=C)C(=C)CC
InChIInChI=1S/C10H14FN/c1-6-7(2)8(3)9(4)12-10(5)11/h2-3,5-6H2,1,4H3/b12-9-
InChIKeyACCHEEMKBWAQEZ-XFXZXTDPSA-N
XLogP3.41
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 ≤ 53.41
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)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine?
The IUPAC name of (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine (CID 156637741) is (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine.
What is the SMILES notation for (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine?
The canonical SMILES for (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine is C=C(F)/N=C(\C)C(=C)C(=C)CC.
What is the InChIKey of (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine?
The InChIKey is ACCHEEMKBWAQEZ-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H14FN/c1-6-7(2)8(3)9(4)12-10(5)11/h2-3,5-6H2,1,4H3/b12-9-.
What are the key properties of (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine?
(Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine has a molecular weight of 167.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine is sourced from PubChem (CID 156637741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).