(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine

C12H18F3N — CID 162588361

IUPAC(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine
SMILESC/C=C\C(=N/C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3N/c1-3-6-11(16-2)9-7-4-5-8-10(9)12(13,14)15/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-,16-11+
InChIKeyDMFUPJCZAGLDOQ-ROBHJMRDSA-N
MW233.28 g/mol
LogP4.00
Rot. Bonds2

About (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine

(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine (PubChem CID 162588361) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine
PubChem CID162588361
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine
SMILESC/C=C\C(=N/C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3N/c1-3-6-11(16-2)9-7-4-5-8-10(9)12(13,14)15/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-,16-11+
InChIKeyDMFUPJCZAGLDOQ-ROBHJMRDSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine (CID 162588361) is (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine is C/C=C\C(=N/C)C1CCCCC1C(F)(F)F.
What is the InChIKey of (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine?
The InChIKey is DMFUPJCZAGLDOQ-ROBHJMRDSA-N. The full InChI is InChI=1S/C12H18F3N/c1-3-6-11(16-2)9-7-4-5-8-10(9)12(13,14)15/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-,16-11+.
What are the key properties of (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine?
(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine has a molecular weight of 233.28 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine is sourced from PubChem (CID 162588361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).