N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine

C12H18F3N — CID 162588362

IUPACN-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine
SMILESC/C=C\N=C(/C)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N/c1-3-7-16-9(2)10-5-4-6-11(8-10)12(13,14)15/h3,7,10-11H,4-6,8H2,1-2H3/b7-3-,16-9+
InChIKeyGAHDMLXEQPGNHS-DUXBONDNSA-N
MW233.28 g/mol
LogP4.35
Rot. Bonds2

About N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine

N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine (PubChem CID 162588362) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine
PubChem CID162588362
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC NameN-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine
SMILESC/C=C\N=C(/C)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N/c1-3-7-16-9(2)10-5-4-6-11(8-10)12(13,14)15/h3,7,10-11H,4-6,8H2,1-2H3/b7-3-,16-9+
InChIKeyGAHDMLXEQPGNHS-DUXBONDNSA-N
XLogP4.35
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 ≤ 54.35
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 N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine?
The IUPAC name of N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine (CID 162588362) is N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine?
The canonical SMILES for N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine is C/C=C\N=C(/C)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine?
The InChIKey is GAHDMLXEQPGNHS-DUXBONDNSA-N. The full InChI is InChI=1S/C12H18F3N/c1-3-7-16-9(2)10-5-4-6-11(8-10)12(13,14)15/h3,7,10-11H,4-6,8H2,1-2H3/b7-3-,16-9+.
What are the key properties of N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine?
N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine has a molecular weight of 233.28 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]-1-[3-(trifluoromethyl)cyclohexyl]ethanimine is sourced from PubChem (CID 162588362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).