1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine

C12H16F3N — CID 145136761

IUPAC1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
SMILESC=C(C)/N=C(/C(=C(C)C)C(F)(F)F)C1CC1
InChIInChI=1S/C12H16F3N/c1-7(2)10(12(13,14)15)11(9-5-6-9)16-8(3)4/h9H,3,5-6H2,1-2,4H3/b16-11+
InChIKeyXCSNDLPVWDUFNW-LFIBNONCSA-N
MW231.26 g/mol
LogP4.27
Rot. Bonds3

About 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine

1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine (PubChem CID 145136761) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
PubChem CID145136761
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
SMILESC=C(C)/N=C(/C(=C(C)C)C(F)(F)F)C1CC1
InChIInChI=1S/C12H16F3N/c1-7(2)10(12(13,14)15)11(9-5-6-9)16-8(3)4/h9H,3,5-6H2,1-2,4H3/b16-11+
InChIKeyXCSNDLPVWDUFNW-LFIBNONCSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-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 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine?
The IUPAC name of 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine (CID 145136761) is 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine.
What is the SMILES notation for 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine?
The canonical SMILES for 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine is C=C(C)/N=C(/C(=C(C)C)C(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine?
The InChIKey is XCSNDLPVWDUFNW-LFIBNONCSA-N. The full InChI is InChI=1S/C12H16F3N/c1-7(2)10(12(13,14)15)11(9-5-6-9)16-8(3)4/h9H,3,5-6H2,1-2,4H3/b16-11+.
What are the key properties of 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine?
1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine has a molecular weight of 231.26 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine is sourced from PubChem (CID 145136761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).