2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C8H14F3NO2 — CID 61047318

IUPAC2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)5-12-7(3-13)6-1-2-14-4-6/h6-7,12-13H,1-5H2
InChIKeyYHLNZMQBPRQDFL-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.54
Rot. Bonds4

About 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 61047318) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID61047318
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)5-12-7(3-13)6-1-2-14-4-6/h6-7,12-13H,1-5H2
InChIKeyYHLNZMQBPRQDFL-UHFFFAOYSA-N
XLogP0.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 61047318) is 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is YHLNZMQBPRQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)5-12-7(3-13)6-1-2-14-4-6/h6-7,12-13H,1-5H2.
What are the key properties of 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 213.20 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 61047318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).