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

C15H28F3NO — CID 62609391

IUPAC4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-5-19(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)20/h11-13,20H,5-10H2,1-4H3
InChIKeyWCIJBRKTFXUFCV-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.69
Rot. Bonds4

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

4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62609391) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID62609391
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-5-19(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)20/h11-13,20H,5-10H2,1-4H3
InChIKeyWCIJBRKTFXUFCV-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 62609391) is 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CCN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WCIJBRKTFXUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-5-19(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)20/h11-13,20H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62609391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).