1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C9H18F3NO3 — CID 103864968

IUPAC1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCOCC(O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO3/c1-2-16-6-8(15)5-13(3-4-14)7-9(10,11)12/h8,14-15H,2-7H2,1H3
InChIKeyHTDQTIUFPZFZNM-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.24
Rot. Bonds8

About 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 103864968) has the molecular formula C9H18F3NO3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID103864968
Molecular FormulaC9H18F3NO3
Molecular Weight245.24 g/mol
Exact Mass245.12
IUPAC Name1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCOCC(O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO3/c1-2-16-6-8(15)5-13(3-4-14)7-9(10,11)12/h8,14-15H,2-7H2,1H3
InChIKeyHTDQTIUFPZFZNM-UHFFFAOYSA-N
XLogP0.24
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
1-[bis(2-hydroxyethyl)amino]-3-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol
CID 129270703
2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107481342
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 88894374
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol
CID 156568864
2-[bis(2-hydroxyethyl)amino]ethanol;ethoxyethane
CID 22156510
1-[bis(2-hydroxyethyl)amino]-3-[2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[3-[bis(2-hydroxyethyl)amino]propoxymethyl]-3-propoxypropoxy]propan-2-ol
CID 129270890
2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64828088

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 103864968) is 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CCOCC(O)CN(CCO)CC(F)(F)F.
What is the InChIKey of 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is HTDQTIUFPZFZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3/c1-2-16-6-8(15)5-13(3-4-14)7-9(10,11)12/h8,14-15H,2-7H2,1H3.
What are the key properties of 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 245.24 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 103864968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).