N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine

C9H12F3N — CID 123975815

IUPACN-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/C=N/C(C)=CCC)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-5-8(3)13-6-7(2)9(10,11)12/h5-6H,2,4H2,1,3H3/b8-5?,13-6+
InChIKeyUZIHBMIMYVIXFT-RSZADFGZSA-N
MW191.20 g/mol
LogP3.49
Rot. Bonds3

About N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine

N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine (PubChem CID 123975815) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
PubChem CID123975815
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/C=N/C(C)=CCC)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-5-8(3)13-6-7(2)9(10,11)12/h5-6H,2,4H2,1,3H3/b8-5?,13-6+
InChIKeyUZIHBMIMYVIXFT-RSZADFGZSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-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 N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine?
The IUPAC name of N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine (CID 123975815) is N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine.
What is the SMILES notation for N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine?
The canonical SMILES for N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine is C=C(/C=N/C(C)=CCC)C(F)(F)F.
What is the InChIKey of N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine?
The InChIKey is UZIHBMIMYVIXFT-RSZADFGZSA-N. The full InChI is InChI=1S/C9H12F3N/c1-4-5-8(3)13-6-7(2)9(10,11)12/h5-6H,2,4H2,1,3H3/b8-5?,13-6+.
What are the key properties of N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine?
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine has a molecular weight of 191.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine is sourced from PubChem (CID 123975815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).