2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol

C13H25F2NO2 — CID 107487176

IUPAC2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
SMILESCC1CCCC(CO)(CN(CCO)CC(F)F)C1
InChIInChI=1S/C13H25F2NO2/c1-11-3-2-4-13(7-11,10-18)9-16(5-6-17)8-12(14)15/h11-12,17-18H,2-10H2,1H3
InChIKeyKBXGIXIPAZBZBA-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.73
Rot. Bonds7

About 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol (PubChem CID 107487176) has the molecular formula C13H25F2NO2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
PubChem CID107487176
Molecular FormulaC13H25F2NO2
Molecular Weight265.34 g/mol
Exact Mass265.19
IUPAC Name2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
SMILESCC1CCCC(CO)(CN(CCO)CC(F)F)C1
InChIInChI=1S/C13H25F2NO2/c1-11-3-2-4-13(7-11,10-18)9-16(5-6-17)8-12(14)15/h11-12,17-18H,2-10H2,1H3
InChIKeyKBXGIXIPAZBZBA-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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Related Compounds

[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
CID 102871050
[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
CID 81074444
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
CID 107486619
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
CID 121406278
1,1-diethyl-3-methylcyclohexane
CID 19090157
3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol
CID 102870862
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107485259

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol (CID 107487176) is 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol is CC1CCCC(CO)(CN(CCO)CC(F)F)C1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol?
The InChIKey is KBXGIXIPAZBZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO2/c1-11-3-2-4-13(7-11,10-18)9-16(5-6-17)8-12(14)15/h11-12,17-18H,2-10H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-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)-3-methylcyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 107487176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).