1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol

C7H8F3NO2S — CID 106923618

IUPAC1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1coc(SCC(O)C(F)(F)F)n1
InChIInChI=1S/C7H8F3NO2S/c1-4-2-13-6(11-4)14-3-5(12)7(8,9)10/h2,5,12H,3H2,1H3
InChIKeyKTTNYCHNOODYNO-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.00
Rot. Bonds3

About 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol

1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 106923618) has the molecular formula C7H8F3NO2S and a molecular weight of 227.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
PubChem CID106923618
Molecular FormulaC7H8F3NO2S
Molecular Weight227.21 g/mol
Exact Mass227.02
IUPAC Name1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1coc(SCC(O)C(F)(F)F)n1
InChIInChI=1S/C7H8F3NO2S/c1-4-2-13-6(11-4)14-3-5(12)7(8,9)10/h2,5,12H,3H2,1H3
InChIKeyKTTNYCHNOODYNO-UHFFFAOYSA-N
XLogP2.00
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol (CID 106923618) is 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol is Cc1coc(SCC(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is KTTNYCHNOODYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2S/c1-4-2-13-6(11-4)14-3-5(12)7(8,9)10/h2,5,12H,3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol?
1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 227.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 106923618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).