6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol

C13H24F3NO2 — CID 107487240

IUPAC6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN(CCO)CC(F)(F)F)C1O
InChIInChI=1S/C13H24F3NO2/c1-12(2)5-3-4-10(11(12)19)8-17(6-7-18)9-13(14,15)16/h10-11,18-19H,3-9H2,1-2H3
InChIKeyNGIDICOSJQIHOA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.03
Rot. Bonds5

About 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol

6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 107487240) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID107487240
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN(CCO)CC(F)(F)F)C1O
InChIInChI=1S/C13H24F3NO2/c1-12(2)5-3-4-10(11(12)19)8-17(6-7-18)9-13(14,15)16/h10-11,18-19H,3-9H2,1-2H3
InChIKeyNGIDICOSJQIHOA-UHFFFAOYSA-N
XLogP2.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855353
2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486962
N-ethyl-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853442
6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2-trimethylcyclohexan-1-amine
CID 79852225
2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486880
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 62609558
2-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486890
6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849364
4-tert-butyl-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 107486452
2-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486906
6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848357
2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486759

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (CID 107487240) is 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCC(CN(CCO)CC(F)(F)F)C1O.
What is the InChIKey of 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is NGIDICOSJQIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-12(2)5-3-4-10(11(12)19)8-17(6-7-18)9-13(14,15)16/h10-11,18-19H,3-9H2,1-2H3.
What are the key properties of 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 107487240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).