(Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine

C12H21FN2 — CID 174353090

IUPAC(Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine
SMILESC=N/C(=C\C(=N\CCF)C(C)C)C(C)C
InChIInChI=1S/C12H21FN2/c1-9(2)11(14-5)8-12(10(3)4)15-7-6-13/h8-10H,5-7H2,1-4H3/b11-8-,15-12-
InChIKeyGKGLZOHYMOSMBB-LGVWQLTFSA-N
MW212.31 g/mol
LogP3.29
Rot. Bonds6

About (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine

(Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine (PubChem CID 174353090) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine.

Molecular Properties

Compound Name(Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine
PubChem CID174353090
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name(Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine
SMILESC=N/C(=C\C(=N\CCF)C(C)C)C(C)C
InChIInChI=1S/C12H21FN2/c1-9(2)11(14-5)8-12(10(3)4)15-7-6-13/h8-10H,5-7H2,1-4H3/b11-8-,15-12-
InChIKeyGKGLZOHYMOSMBB-LGVWQLTFSA-N
XLogP3.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine?
The IUPAC name of (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine (CID 174353090) is (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine.
What is the SMILES notation for (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine?
The canonical SMILES for (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine is C=N/C(=C\C(=N\CCF)C(C)C)C(C)C.
What is the InChIKey of (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine?
The InChIKey is GKGLZOHYMOSMBB-LGVWQLTFSA-N. The full InChI is InChI=1S/C12H21FN2/c1-9(2)11(14-5)8-12(10(3)4)15-7-6-13/h8-10H,5-7H2,1-4H3/b11-8-,15-12-.
What are the key properties of (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine?
(Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine has a molecular weight of 212.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine is sourced from PubChem (CID 174353090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).