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

C7H12F3NOS — CID 61045834

IUPAC[3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCSC1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)3-11-6(4-12)1-2-13-5-6/h11-12H,1-5H2
InChIKeyKLYWYXLMOICKHY-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.01
Rot. Bonds3

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

[3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol (PubChem CID 61045834) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
PubChem CID61045834
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC Name[3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCSC1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)3-11-6(4-12)1-2-13-5-6/h11-12H,1-5H2
InChIKeyKLYWYXLMOICKHY-UHFFFAOYSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The IUPAC name of [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol (CID 61045834) is [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The canonical SMILES for [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol is OCC1(NCC(F)(F)F)CCSC1.
What is the InChIKey of [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The InChIKey is KLYWYXLMOICKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c8-7(9,10)3-11-6(4-12)1-2-13-5-6/h11-12H,1-5H2.
What are the key properties of [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
[3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol has a molecular weight of 215.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 61045834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).