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

C13H25F2NO2 — CID 107487125

IUPAC2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol
SMILESCC1CCC(CO)(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C13H25F2NO2/c1-11-2-4-13(10-18,5-3-11)9-16(6-7-17)8-12(14)15/h11-12,17-18H,2-10H2,1H3
InChIKeyGJDWPUQVWWKQIG-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.73
Rot. Bonds7

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

2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol (PubChem CID 107487125) has the molecular formula C13H25F2NO2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol
PubChem CID107487125
Molecular FormulaC13H25F2NO2
Molecular Weight265.34 g/mol
Exact Mass265.19
IUPAC Name2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol
SMILESCC1CCC(CO)(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C13H25F2NO2/c1-11-2-4-13(10-18,5-3-11)9-16(6-7-17)8-12(14)15/h11-12,17-18H,2-10H2,1H3
InChIKeyGJDWPUQVWWKQIG-UHFFFAOYSA-N
XLogP1.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol (CID 107487125) is 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol is CC1CCC(CO)(CN(CCO)CC(F)F)CC1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol?
The InChIKey is GJDWPUQVWWKQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO2/c1-11-2-4-13(10-18,5-3-11)9-16(6-7-17)8-12(14)15/h11-12,17-18H,2-10H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol has a molecular weight of 265.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-4-methylcyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 107487125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).