2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C13H24F3NO2 — CID 107487216

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC1CCC(CO)(CN(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO2/c1-11-2-4-12(10-19,5-3-11)8-17(6-7-18)9-13(14,15)16/h11,18-19H,2-10H2,1H3
InChIKeySMGMWRJLZYBKDN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.03
Rot. Bonds6

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107487216) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107487216
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC1CCC(CO)(CN(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO2/c1-11-2-4-12(10-19,5-3-11)8-17(6-7-18)9-13(14,15)16/h11,18-19H,2-10H2,1H3
InChIKeySMGMWRJLZYBKDN-UHFFFAOYSA-N
XLogP2.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107487216) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CC1CCC(CO)(CN(CCO)CC(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is SMGMWRJLZYBKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11-2-4-12(10-19,5-3-11)8-17(6-7-18)9-13(14,15)16/h11,18-19H,2-10H2,1H3.
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 283.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107487216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).