2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol

C11H22F3NO3 — CID 107481342

IUPAC2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCOC(CCN(CCO)CC(F)(F)F)OCC
InChIInChI=1S/C11H22F3NO3/c1-3-17-10(18-4-2)5-6-15(7-8-16)9-11(12,13)14/h10,16H,3-9H2,1-2H3
InChIKeyVGLJNFRGDCSARY-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.63
Rot. Bonds10

About 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol

2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107481342) has the molecular formula C11H22F3NO3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107481342
Molecular FormulaC11H22F3NO3
Molecular Weight273.29 g/mol
Exact Mass273.16
IUPAC Name2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCOC(CCN(CCO)CC(F)(F)F)OCC
InChIInChI=1S/C11H22F3NO3/c1-3-17-10(18-4-2)5-6-15(7-8-16)9-11(12,13)14/h10,16H,3-9H2,1-2H3
InChIKeyVGLJNFRGDCSARY-UHFFFAOYSA-N
XLogP1.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103864968
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004
2-ethoxy-N'-ethyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 63069720
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864883
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
CID 63618857
2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484736
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 107487245
1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 162601173
1-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-methylbutan-2-one
CID 107481284
N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
CID 63627903
ethyl (E)-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]but-2-enoate
CID 107480908

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol (CID 107481342) is 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol is CCOC(CCN(CCO)CC(F)(F)F)OCC.
What is the InChIKey of 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VGLJNFRGDCSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3/c1-3-17-10(18-4-2)5-6-15(7-8-16)9-11(12,13)14/h10,16H,3-9H2,1-2H3.
What are the key properties of 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 273.29 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107481342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).