N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine

C8H11F2N — CID 171057010

IUPACN-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)/C=C(\C)C(F)F
InChIInChI=1S/C8H11F2N/c1-6(5-11-3)4-7(2)8(9)10/h4-5,8H,3H2,1-2H3/b6-5+,7-4+
InChIKeyDQPUORYXOWKVPX-HVUXDCMCSA-N
MW159.18 g/mol
LogP2.80
Rot. Bonds3

About N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine

N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine (PubChem CID 171057010) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine
PubChem CID171057010
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)/C=C(\C)C(F)F
InChIInChI=1S/C8H11F2N/c1-6(5-11-3)4-7(2)8(9)10/h4-5,8H,3H2,1-2H3/b6-5+,7-4+
InChIKeyDQPUORYXOWKVPX-HVUXDCMCSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
CID 88579421
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine (CID 171057010) is N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine is C=N/C=C(C)/C=C(\C)C(F)F.
What is the InChIKey of N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine?
The InChIKey is DQPUORYXOWKVPX-HVUXDCMCSA-N. The full InChI is InChI=1S/C8H11F2N/c1-6(5-11-3)4-7(2)8(9)10/h4-5,8H,3H2,1-2H3/b6-5+,7-4+.
What are the key properties of N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine?
N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine has a molecular weight of 159.18 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 171057010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).