N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine

C10H14FN — CID 142913204

IUPACN-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
SMILESC=C/C=C\C(=C(/C)F)C(C)N=C
InChIInChI=1S/C10H14FN/c1-5-6-7-10(8(2)11)9(3)12-4/h5-7,9H,1,4H2,2-3H3/b7-6-,10-8-
InChIKeyFIELUZJAWSQVGC-INZNQPOWSA-N
MW167.23 g/mol
LogP3.06
Rot. Bonds4

About N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine

N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine (PubChem CID 142913204) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
PubChem CID142913204
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
SMILESC=C/C=C\C(=C(/C)F)C(C)N=C
InChIInChI=1S/C10H14FN/c1-5-6-7-10(8(2)11)9(3)12-4/h5-7,9H,1,4H2,2-3H3/b7-6-,10-8-
InChIKeyFIELUZJAWSQVGC-INZNQPOWSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine?
The IUPAC name of N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine (CID 142913204) is N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine.
What is the SMILES notation for N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine?
The canonical SMILES for N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine is C=C/C=C\C(=C(/C)F)C(C)N=C.
What is the InChIKey of N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine?
The InChIKey is FIELUZJAWSQVGC-INZNQPOWSA-N. The full InChI is InChI=1S/C10H14FN/c1-5-6-7-10(8(2)11)9(3)12-4/h5-7,9H,1,4H2,2-3H3/b7-6-,10-8-.
What are the key properties of N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine?
N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine 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 N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine is sourced from PubChem (CID 142913204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).