(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine

C13H16FN — CID 144769687

IUPAC(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine
SMILESC=C/N=C/C(F)=C(C=C)/C(/C=C\C)=C/C
InChIInChI=1S/C13H16FN/c1-5-9-11(6-2)12(7-3)13(14)10-15-8-4/h5-10H,3-4H2,1-2H3/b9-5-,11-6+,13-12-,15-10+
InChIKeyQEJJLAJZQXKBOF-RMDIXWPHSA-N
MW205.28 g/mol
LogP4.13
Rot. Bonds5

About (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine

(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine (PubChem CID 144769687) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine
PubChem CID144769687
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine
SMILESC=C/N=C/C(F)=C(C=C)/C(/C=C\C)=C/C
InChIInChI=1S/C13H16FN/c1-5-9-11(6-2)12(7-3)13(14)10-15-8-4/h5-10H,3-4H2,1-2H3/b9-5-,11-6+,13-12-,15-10+
InChIKeyQEJJLAJZQXKBOF-RMDIXWPHSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 54.13
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 (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine?
The IUPAC name of (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine (CID 144769687) is (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine.
What is the SMILES notation for (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine?
The canonical SMILES for (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine is C=C/N=C/C(F)=C(C=C)/C(/C=C\C)=C/C.
What is the InChIKey of (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine?
The InChIKey is QEJJLAJZQXKBOF-RMDIXWPHSA-N. The full InChI is InChI=1S/C13H16FN/c1-5-9-11(6-2)12(7-3)13(14)10-15-8-4/h5-10H,3-4H2,1-2H3/b9-5-,11-6+,13-12-,15-10+.
What are the key properties of (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine?
(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine has a molecular weight of 205.28 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine is sourced from PubChem (CID 144769687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).