[4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

C13H24F3NO — CID 61045651

IUPAC[4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC(C)(C)C1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11(2,3)10-4-6-12(9-18,7-5-10)17-8-13(14,15)16/h10,17-18H,4-9H2,1-3H3
InChIKeyAOORXOHPLKANRX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.11
Rot. Bonds3

About [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

[4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 61045651) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID61045651
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC(C)(C)C1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11(2,3)10-4-6-12(9-18,7-5-10)17-8-13(14,15)16/h10,17-18H,4-9H2,1-3H3
InChIKeyAOORXOHPLKANRX-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
CID 96415684
2-Cyclohexyl-2-((2,2,2-trifluoroethyl)amino)propan-1-ol
CID 56794360
[5-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
[3,3,5-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044737
[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[2-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046016
[2-Tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046194
[3-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046195
2-Cyclohexyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046571
[4-(2-Methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046754
[4-Ethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61047317

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 61045651) is [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is CC(C)(C)C1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is AOORXOHPLKANRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2,3)10-4-6-12(9-18,7-5-10)17-8-13(14,15)16/h10,17-18H,4-9H2,1-3H3.
What are the key properties of [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 267.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 61045651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).