1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol

C8H14F3NOS — CID 63902240

IUPAC1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol
SMILESCN(CC(O)C(F)(F)F)C1CCSC1
InChIInChI=1S/C8H14F3NOS/c1-12(6-2-3-14-5-6)4-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyOENCVIPIINSATR-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.35
Rot. Bonds3

About 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol (PubChem CID 63902240) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol
PubChem CID63902240
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol
SMILESCN(CC(O)C(F)(F)F)C1CCSC1
InChIInChI=1S/C8H14F3NOS/c1-12(6-2-3-14-5-6)4-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyOENCVIPIINSATR-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol 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 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol (CID 63902240) is 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol is CN(CC(O)C(F)(F)F)C1CCSC1.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol?
The InChIKey is OENCVIPIINSATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-12(6-2-3-14-5-6)4-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl(thiolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 63902240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).