(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine

C11H16FN — CID 166907396

IUPAC(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
SMILES[H]/N=C/C(/C=C\C(=C)CCC)=C(/C)F
InChIInChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-13)10(3)12/h6-8,13H,2,4-5H2,1,3H3/b7-6-,11-10-,13-8+
InChIKeyAEFNNNBFHKHEKU-SIRAJAELSA-N
MW181.25 g/mol
LogP3.79
Rot. Bonds5

About (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine

(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine (PubChem CID 166907396) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine.

Molecular Properties

Compound Name(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
PubChem CID166907396
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
SMILES[H]/N=C/C(/C=C\C(=C)CCC)=C(/C)F
InChIInChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-13)10(3)12/h6-8,13H,2,4-5H2,1,3H3/b7-6-,11-10-,13-8+
InChIKeyAEFNNNBFHKHEKU-SIRAJAELSA-N
XLogP3.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
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

(2Z,4E)-6,6,6-trifluoro-5-methyl-2-propylhexa-2,4-dien-1-imine
CID 89697918
(6E)-5-ethyl-6-(2-fluoropropyl)nona-4,6,8-triene-1,2-diimine
CID 91482859
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
4-Ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
[7-Fluoro-3-[1-(2-methanimidoyl-3-methylidenecyclohexa-1,5-dien-1-yl)buta-1,2-dienyl]cyclohepta-1,3,4-trien-1-yl]methanimine
CID 123577980
(4-Fluorocyclohexa-1,3-dien-1-yl)methanimine
CID 123586427
[2-[1-(5-Fluoro-6-methanimidoylcyclohepta-1,2,4,6-tetraen-1-yl)buta-1,2-dienyl]cyclohexa-1,3-dien-1-yl]methanimine
CID 123702818
3-[4-(1,1-Difluoroethyl)cyclohepta-1,4,6-trien-1-yl]prop-2-en-1-imine
CID 123811165
(2Z,4Z)-6-ethyl-4-fluoro-5,6-dimethyl-2-(3-methylpentan-3-yl)octa-2,4-dien-1-imine
CID 132050829
(3E,5Z)-3-ethylidene-5-[(E)-1-fluoroprop-1-enyl]octa-1,5,7-trien-4-imine
CID 132066393
(E,2E)-3,5,5-trimethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine
CID 134466742

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine?
The IUPAC name of (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine (CID 166907396) is (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine.
What is the SMILES notation for (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine?
The canonical SMILES for (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine is [H]/N=C/C(/C=C\C(=C)CCC)=C(/C)F.
What is the InChIKey of (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine?
The InChIKey is AEFNNNBFHKHEKU-SIRAJAELSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-13)10(3)12/h6-8,13H,2,4-5H2,1,3H3/b7-6-,11-10-,13-8+.
What are the key properties of (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine?
(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine has a molecular weight of 181.25 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine is sourced from PubChem (CID 166907396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).