N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine

C11H16FN — CID 166976510

IUPACN-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
SMILESC/C=C(/C=C/C)C(\F)=C(C)/N=C/C
InChIInChI=1S/C11H16FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h5-8H,1-4H3/b8-5+,10-6-,11-9+,13-7+
InChIKeyMGJQZARIDCSYTL-IFNHVIJVSA-N
MW181.25 g/mol
LogP3.80
Rot. Bonds3

About N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine

N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine (PubChem CID 166976510) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
PubChem CID166976510
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
SMILESC/C=C(/C=C/C)C(\F)=C(C)/N=C/C
InChIInChI=1S/C11H16FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h5-8H,1-4H3/b8-5+,10-6-,11-9+,13-7+
InChIKeyMGJQZARIDCSYTL-IFNHVIJVSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.80
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-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine?
The IUPAC name of N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine (CID 166976510) is N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine is C/C=C(/C=C/C)C(\F)=C(C)/N=C/C.
What is the InChIKey of N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine?
The InChIKey is MGJQZARIDCSYTL-IFNHVIJVSA-N. The full InChI is InChI=1S/C11H16FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h5-8H,1-4H3/b8-5+,10-6-,11-9+,13-7+.
What are the key properties of N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine?
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine has a molecular weight of 181.25 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine is sourced from PubChem (CID 166976510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).