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

C13H25F2NO2 — CID 107487147

IUPAC6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN(CCO)CC(F)F)C1O
InChIInChI=1S/C13H25F2NO2/c1-13(2)5-3-4-10(12(13)18)8-16(6-7-17)9-11(14)15/h10-12,17-18H,3-9H2,1-2H3
InChIKeyWTGWJUGRGFKPIS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.73
Rot. Bonds6

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

6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 107487147) has the molecular formula C13H25F2NO2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID107487147
Molecular FormulaC13H25F2NO2
Molecular Weight265.34 g/mol
Exact Mass265.19
IUPAC Name6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN(CCO)CC(F)F)C1O
InChIInChI=1S/C13H25F2NO2/c1-13(2)5-3-4-10(12(13)18)8-16(6-7-17)9-11(14)15/h10-12,17-18H,3-9H2,1-2H3
InChIKeyWTGWJUGRGFKPIS-UHFFFAOYSA-N
XLogP1.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (CID 107487147) is 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCC(CN(CCO)CC(F)F)C1O.
What is the InChIKey of 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is WTGWJUGRGFKPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO2/c1-13(2)5-3-4-10(12(13)18)8-16(6-7-17)9-11(14)15/h10-12,17-18H,3-9H2,1-2H3.
What are the key properties of 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 265.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 107487147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).