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

C11H20F3NO2 — CID 107487234

IUPAC2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESOCCN(CC1CCCCC1O)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-15(5-6-16)7-9-3-1-2-4-10(9)17/h9-10,16-17H,1-8H2
InChIKeyVFAVEWOQACBOML-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.39
Rot. Bonds5

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

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 107487234) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID107487234
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESOCCN(CC1CCCCC1O)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)8-15(5-6-16)7-9-3-1-2-4-10(9)17/h9-10,16-17H,1-8H2
InChIKeyVFAVEWOQACBOML-UHFFFAOYSA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(Hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 157039626
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039642
1-[Bis(2-hydroxyethyl)amino]-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-icosafluoro-13-(trifluoromethyl)tetradecan-3-ol
CID 16206035
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094483
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094670
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094719
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608867

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 107487234) is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is OCCN(CC1CCCCC1O)CC(F)(F)F.
What is the InChIKey of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is VFAVEWOQACBOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)8-15(5-6-16)7-9-3-1-2-4-10(9)17/h9-10,16-17H,1-8H2.
What are the key properties of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107487234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).