(4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine

C19H24F2N2 — CID 123445499

IUPAC(4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine
SMILES[H]/N=C(\C)C/N=C(\C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)(F)F
InChIInChI=1S/C19H24F2N2/c1-13(14(2)10-11-16(4)19(7,20)21)8-9-15(3)18(6)23-12-17(5)22/h8-11,22H,1-4,12H2,5-7H3/b9-8-,11-10-,22-17+,23-18+
InChIKeyAIRKRCRGHAUTNG-DGADCRGLSA-N
MW318.41 g/mol
LogP5.48
Rot. Bonds9

About (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine

(4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine (PubChem CID 123445499) has the molecular formula C19H24F2N2 and a molecular weight of 318.41 g/mol. Its IUPAC name is (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine.

Molecular Properties

Compound Name(4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine
PubChem CID123445499
Molecular FormulaC19H24F2N2
Molecular Weight318.41 g/mol
Exact Mass318.19
IUPAC Name(4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine
SMILES[H]/N=C(\C)C/N=C(\C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)(F)F
InChIInChI=1S/C19H24F2N2/c1-13(14(2)10-11-16(4)19(7,20)21)8-9-15(3)18(6)23-12-17(5)22/h8-11,22H,1-4,12H2,5-7H3/b9-8-,11-10-,22-17+,23-18+
InChIKeyAIRKRCRGHAUTNG-DGADCRGLSA-N
XLogP5.48
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine?
The IUPAC name of (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine (CID 123445499) is (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine.
What is the SMILES notation for (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine?
The canonical SMILES for (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine is [H]/N=C(\C)C/N=C(\C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)(F)F.
What is the InChIKey of (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine?
The InChIKey is AIRKRCRGHAUTNG-DGADCRGLSA-N. The full InChI is InChI=1S/C19H24F2N2/c1-13(14(2)10-11-16(4)19(7,20)21)8-9-15(3)18(6)23-12-17(5)22/h8-11,22H,1-4,12H2,5-7H3/b9-8-,11-10-,22-17+,23-18+.
What are the key properties of (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine?
(4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine has a molecular weight of 318.41 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine is sourced from PubChem (CID 123445499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).