1-cyclohexyl-2,2,2-trifluoroethanimine

C8H12F3N — CID 141176955

IUPAC1-cyclohexyl-2,2,2-trifluoroethanimine
SMILES[H]/N=C(\C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6,12H,1-5H2/b12-7+
InChIKeyZWSLHOXVBHOXEZ-KPKJPENVSA-N
MW179.18 g/mol
LogP3.15
Rot. Bonds1

About 1-cyclohexyl-2,2,2-trifluoroethanimine

1-cyclohexyl-2,2,2-trifluoroethanimine (PubChem CID 141176955) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,2-trifluoroethanimine.

Molecular Properties

Compound Name1-cyclohexyl-2,2,2-trifluoroethanimine
PubChem CID141176955
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name1-cyclohexyl-2,2,2-trifluoroethanimine
SMILES[H]/N=C(\C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6,12H,1-5H2/b12-7+
InChIKeyZWSLHOXVBHOXEZ-KPKJPENVSA-N
XLogP3.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3,3-difluoro-2-methylcyclohexan-1-imine
CID 89592223
4-(Trifluoromethyl)cyclohexane-1,2-diimine
CID 163479891
2-(Trifluoromethyl)cyclohexan-1-imine
CID 173212003
2-[[4-(Trifluoromethyl)cyclohexylidene]amino]guanidine
CID 65211714
2-[[3-(Trifluoromethyl)cyclohexylidene]amino]guanidine
CID 77060125
1-Cyclohexylethanimine
CID 18727539
2-Ethylcyclohexan-1-imine
CID 143834647
4-Ethylcyclohexan-1-imine
CID 153108389

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2,2-trifluoroethanimine?
The IUPAC name of 1-cyclohexyl-2,2,2-trifluoroethanimine (CID 141176955) is 1-cyclohexyl-2,2,2-trifluoroethanimine.
What is the SMILES notation for 1-cyclohexyl-2,2,2-trifluoroethanimine?
The canonical SMILES for 1-cyclohexyl-2,2,2-trifluoroethanimine is [H]/N=C(\C1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2,2,2-trifluoroethanimine?
The InChIKey is ZWSLHOXVBHOXEZ-KPKJPENVSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6,12H,1-5H2/b12-7+.
What are the key properties of 1-cyclohexyl-2,2,2-trifluoroethanimine?
1-cyclohexyl-2,2,2-trifluoroethanimine has a molecular weight of 179.18 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,2-trifluoroethanimine is sourced from PubChem (CID 141176955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).