3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C13H22F3NO2 — CID 165490699

IUPAC3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(C)CN(C2CC(O)CCC2C(F)(F)F)CCO1
InChIInChI=1S/C13H22F3NO2/c1-12(2)8-17(5-6-19-12)11-7-9(18)3-4-10(11)13(14,15)16/h9-11,18H,3-8H2,1-2H3
InChIKeyQNIMSUYVXXRYTG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.19
Rot. Bonds1

About 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490699) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490699
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(C)CN(C2CC(O)CCC2C(F)(F)F)CCO1
InChIInChI=1S/C13H22F3NO2/c1-12(2)8-17(5-6-19-12)11-7-9(18)3-4-10(11)13(14,15)16/h9-11,18H,3-8H2,1-2H3
InChIKeyQNIMSUYVXXRYTG-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(2-morpholin-4-ylcyclohexyl)ethanol
CID 101501910
[6-Methyl-1-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]piperidin-3-yl]methanol
CID 109993090
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694
3-(4,4-Dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490696
3-(4-Ethylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490698
3-(3,3-Difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490703
3-(4-Fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490772

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490699) is 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CC1(C)CN(C2CC(O)CCC2C(F)(F)F)CCO1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is QNIMSUYVXXRYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-12(2)8-17(5-6-19-12)11-7-9(18)3-4-10(11)13(14,15)16/h9-11,18H,3-8H2,1-2H3.
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 281.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).