N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine

C9H11ClF3N — CID 177204371

IUPACN-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine
SMILESC=N/C=C(C(\Cl)=C\CCC)/C(F)(F)F
InChIInChI=1S/C9H11ClF3N/c1-3-4-5-8(10)7(6-14-2)9(11,12)13/h5-6H,2-4H2,1H3/b7-6+,8-5-
InChIKeyGGBDVFXKTAQXAS-NGWHPUCNSA-N
MW225.64 g/mol
LogP4.06
Rot. Bonds4

About N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine

N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine (PubChem CID 177204371) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine
PubChem CID177204371
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC NameN-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine
SMILESC=N/C=C(C(\Cl)=C\CCC)/C(F)(F)F
InChIInChI=1S/C9H11ClF3N/c1-3-4-5-8(10)7(6-14-2)9(11,12)13/h5-6H,2-4H2,1H3/b7-6+,8-5-
InChIKeyGGBDVFXKTAQXAS-NGWHPUCNSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 54.06
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-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-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-[(3E,5Z)-4-chloro-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimine
CID 146626737
N-[(1E,3E)-5,5-difluoro-2,4-dimethylpenta-1,3-dienyl]methanimine
CID 171057010
N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride
CID 171558541
N-[(1Z)-1-chloro-2-(difluoromethyl)-4-methylpenta-1,3-dienyl]methanimine
CID 172320542

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine (CID 177204371) is N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine is C=N/C=C(C(\Cl)=C\CCC)/C(F)(F)F.
What is the InChIKey of N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine?
The InChIKey is GGBDVFXKTAQXAS-NGWHPUCNSA-N. The full InChI is InChI=1S/C9H11ClF3N/c1-3-4-5-8(10)7(6-14-2)9(11,12)13/h5-6H,2-4H2,1H3/b7-6+,8-5-.
What are the key properties of N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine has a molecular weight of 225.64 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-chloro-2-(trifluoromethyl)hepta-1,3-dienyl]methanimine is sourced from PubChem (CID 177204371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).