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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Related Compounds

Diethylideneaniline
CID 70417807
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803
N-(1,2,2-trifluorohept-4-en-3-yl)methanimine
CID 166907275
(7aR)-5-fluoro-3-methyl-7aH-indole
CID 124277104
(7aS)-5-fluoro-3-methyl-7aH-indole
CID 124277105
N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine
CID 142913200
N-[(E)-5,5,5-trifluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]methanimine
CID 142913277

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).