4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol

C6H10F3NO2 — CID 123785987

IUPAC4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol
SMILESCC1CON(CC(F)(F)F)C1O
InChIInChI=1S/C6H10F3NO2/c1-4-2-12-10(5(4)11)3-6(7,8)9/h4-5,11H,2-3H2,1H3
InChIKeyLKJPNJLZMUWCBJ-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.75
Rot. Bonds1

About 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol

4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol (PubChem CID 123785987) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol
PubChem CID123785987
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol
SMILESCC1CON(CC(F)(F)F)C1O
InChIInChI=1S/C6H10F3NO2/c1-4-2-12-10(5(4)11)3-6(7,8)9/h4-5,11H,2-3H2,1H3
InChIKeyLKJPNJLZMUWCBJ-UHFFFAOYSA-N
XLogP0.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(2,2-difluoroethyl)-4-methyl-1,2-oxazolidine
CID 145228806
(4R)-4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol
CID 148360642
2,4-Dimethyl-1,2-oxazolidin-3-ol;ethane
CID 142359357
2,4-Dimethyl-1,2-oxazolidin-3-ol
CID 142359358

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol (CID 123785987) is 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol is CC1CON(CC(F)(F)F)C1O.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol?
The InChIKey is LKJPNJLZMUWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4-2-12-10(5(4)11)3-6(7,8)9/h4-5,11H,2-3H2,1H3.
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol?
4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol has a molecular weight of 185.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-3-ol is sourced from PubChem (CID 123785987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).