1,1-difluoro-N-methylhepta-4,5-dien-2-imine

C8H11F2N — CID 118475059

IUPAC1,1-difluoro-N-methylhepta-4,5-dien-2-imine
SMILESCC=C=CC/C(=N\C)C(F)F
InChIInChI=1S/C8H11F2N/c1-3-4-5-6-7(11-2)8(9)10/h3,5,8H,6H2,1-2H3/b11-7+
InChIKeyVSWJDZAIDUSTCL-YRNVUSSQSA-N
MW159.18 g/mol
LogP2.44
Rot. Bonds3

About 1,1-difluoro-N-methylhepta-4,5-dien-2-imine

1,1-difluoro-N-methylhepta-4,5-dien-2-imine (PubChem CID 118475059) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 1,1-difluoro-N-methylhepta-4,5-dien-2-imine.

Molecular Properties

Compound Name1,1-difluoro-N-methylhepta-4,5-dien-2-imine
PubChem CID118475059
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1,1-difluoro-N-methylhepta-4,5-dien-2-imine
SMILESCC=C=CC/C(=N\C)C(F)F
InChIInChI=1S/C8H11F2N/c1-3-4-5-6-7(11-2)8(9)10/h3,5,8H,6H2,1-2H3/b11-7+
InChIKeyVSWJDZAIDUSTCL-YRNVUSSQSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-N-methylhepta-4,5-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 1,1-difluoro-N-methylhepta-4,5-dien-2-imine?
The IUPAC name of 1,1-difluoro-N-methylhepta-4,5-dien-2-imine (CID 118475059) is 1,1-difluoro-N-methylhepta-4,5-dien-2-imine.
What is the SMILES notation for 1,1-difluoro-N-methylhepta-4,5-dien-2-imine?
The canonical SMILES for 1,1-difluoro-N-methylhepta-4,5-dien-2-imine is CC=C=CC/C(=N\C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methylhepta-4,5-dien-2-imine?
The InChIKey is VSWJDZAIDUSTCL-YRNVUSSQSA-N. The full InChI is InChI=1S/C8H11F2N/c1-3-4-5-6-7(11-2)8(9)10/h3,5,8H,6H2,1-2H3/b11-7+.
What are the key properties of 1,1-difluoro-N-methylhepta-4,5-dien-2-imine?
1,1-difluoro-N-methylhepta-4,5-dien-2-imine has a molecular weight of 159.18 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methylhepta-4,5-dien-2-imine is sourced from PubChem (CID 118475059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).