[5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol

C8H14F3NOS — CID 79950653

IUPAC[5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
SMILESCC1CC(CO)(NCC(F)(F)F)CS1
InChIInChI=1S/C8H14F3NOS/c1-6-2-7(4-13,5-14-6)12-3-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyCAMFCIZFUYOXBE-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.39
Rot. Bonds3

About [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol

[5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol (PubChem CID 79950653) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
PubChem CID79950653
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name[5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
SMILESCC1CC(CO)(NCC(F)(F)F)CS1
InChIInChI=1S/C8H14F3NOS/c1-6-2-7(4-13,5-14-6)12-3-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyCAMFCIZFUYOXBE-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The IUPAC name of [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol (CID 79950653) is [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The canonical SMILES for [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol is CC1CC(CO)(NCC(F)(F)F)CS1.
What is the InChIKey of [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The InChIKey is CAMFCIZFUYOXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-6-2-7(4-13,5-14-6)12-3-8(9,10)11/h6,12-13H,2-5H2,1H3.
What are the key properties of [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
[5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol has a molecular weight of 229.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 79950653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).