(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine

C14H22F2N2 — CID 174319468

IUPAC(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine
SMILESC=C(C/C(=N/C)C(F)F)/C(C)=C/N=C(\C)CCC
InChIInChI=1S/C14H22F2N2/c1-6-7-12(4)18-9-11(3)10(2)8-13(17-5)14(15)16/h9,14H,2,6-8H2,1,3-5H3/b11-9+,17-13-,18-12+
InChIKeyYQKMAJYNMPDSOI-ZWKJPMDJSA-N
MW256.34 g/mol
LogP4.43
Rot. Bonds7

About (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine

(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine (PubChem CID 174319468) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine.

Molecular Properties

Compound Name(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine
PubChem CID174319468
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine
SMILESC=C(C/C(=N/C)C(F)F)/C(C)=C/N=C(\C)CCC
InChIInChI=1S/C14H22F2N2/c1-6-7-12(4)18-9-11(3)10(2)8-13(17-5)14(15)16/h9,14H,2,6-8H2,1,3-5H3/b11-9+,17-13-,18-12+
InChIKeyYQKMAJYNMPDSOI-ZWKJPMDJSA-N
XLogP4.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine?
The IUPAC name of (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine (CID 174319468) is (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine.
What is the SMILES notation for (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine?
The canonical SMILES for (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine is C=C(C/C(=N/C)C(F)F)/C(C)=C/N=C(\C)CCC.
What is the InChIKey of (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine?
The InChIKey is YQKMAJYNMPDSOI-ZWKJPMDJSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-6-7-12(4)18-9-11(3)10(2)8-13(17-5)14(15)16/h9,14H,2,6-8H2,1,3-5H3/b11-9+,17-13-,18-12+.
What are the key properties of (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine?
(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine has a molecular weight of 256.34 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine is sourced from PubChem (CID 174319468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).