4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

C12H22F3NO — CID 62609382

IUPAC4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-3-9-4-5-11(17)10(6-9)7-16(2)8-12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyLEZUMTSLFCJVHE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds4

About 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62609382) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID62609382
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-3-9-4-5-11(17)10(6-9)7-16(2)8-12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyLEZUMTSLFCJVHE-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 62609382) is 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN(C)CC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is LEZUMTSLFCJVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-9-4-5-11(17)10(6-9)7-16(2)8-12(13,14)15/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62609382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).