1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol

C11H20F3NO2 — CID 104752605

IUPAC1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCN(CC(O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-4-15(8-11(12,13)14)6-10(16)9-3-5-17-7-9/h9-10,16H,2-8H2,1H3
InChIKeyMTKUBOSEUVCDPB-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.66
Rot. Bonds6

About 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol

1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 104752605) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID104752605
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCN(CC(O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-4-15(8-11(12,13)14)6-10(16)9-3-5-17-7-9/h9-10,16H,2-8H2,1H3
InChIKeyMTKUBOSEUVCDPB-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 113448176
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
N-ethyl-N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744981
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745631

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol (CID 104752605) is 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol is CCCN(CC(O)C1CCOC1)CC(F)(F)F.
What is the InChIKey of 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is MTKUBOSEUVCDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-4-15(8-11(12,13)14)6-10(16)9-3-5-17-7-9/h9-10,16H,2-8H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol?
1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 255.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 104752605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).