2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H20F3NO2 — CID 104889633

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC1(C)CCC(CN(CCO)CC(F)(F)F)O1
InChIInChI=1S/C11H20F3NO2/c1-10(2)4-3-9(17-10)7-15(5-6-16)8-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeyWOSCNDSEUJLJPY-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 104889633) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID104889633
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC1(C)CCC(CN(CCO)CC(F)(F)F)O1
InChIInChI=1S/C11H20F3NO2/c1-10(2)4-3-9(17-10)7-15(5-6-16)8-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeyWOSCNDSEUJLJPY-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]-4-(trifluoromethoxy)pyrrolidine
CID 177010216
1,1,1-Trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 63900405
3-[Ethyl(oxolan-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900619
1,1,1-Trifluoro-3-[(2-methyloxolan-2-yl)methylamino]propan-2-ol
CID 80171463
(2S)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
CID 99832114
(2R)-3-(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
CID 99832115
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102848142
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102903058
2-[(5-Methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103143891
2-[Oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103857815
3-[(5,5-Dimethyloxolan-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644895
3-[(5,5-Dimethyloxolan-2-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105645401

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 104889633) is 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is CC1(C)CCC(CN(CCO)CC(F)(F)F)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is WOSCNDSEUJLJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-10(2)4-3-9(17-10)7-15(5-6-16)8-11(12,13)14/h9,16H,3-8H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 255.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 104889633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).