1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol

C13H24F3NO — CID 104752598

IUPAC1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)N(CC(O)C1CCCCC1)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-12(18)11-6-4-3-5-7-11/h10-12,18H,3-9H2,1-2H3
InChIKeyJOSRCYSDVSUKMI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds5

About 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol

1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 104752598) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID104752598
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)N(CC(O)C1CCCCC1)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-12(18)11-6-4-3-5-7-11/h10-12,18H,3-9H2,1-2H3
InChIKeyJOSRCYSDVSUKMI-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[Di(propan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol
CID 11488061
(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol
CID 67807670
1-Cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049565
5-Cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049568
1-Cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049570
5-Cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049639
5-Cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049640
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039642
[(2S)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-2-yl]methanol
CID 169926782
[(2S)-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-yl]methanol
CID 169926917
(5,5-Difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol
CID 171531582

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 104752598) is 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol is CC(C)N(CC(O)C1CCCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JOSRCYSDVSUKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-12(18)11-6-4-3-5-7-11/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 104752598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).