1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol

C9H12F3NOS — CID 141103136

IUPAC1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(O)(c1cncs1)C(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-7(2,3)8(14,9(10,11)12)6-4-13-5-15-6/h4-5,14H,1-3H3
InChIKeyUWTFQLJMPALPRN-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.94
Rot. Bonds1

About 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol

1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 141103136) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID141103136
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(O)(c1cncs1)C(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-7(2,3)8(14,9(10,11)12)6-4-13-5-15-6/h4-5,14H,1-3H3
InChIKeyUWTFQLJMPALPRN-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-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-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol (CID 141103136) is 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol is CC(C)(C)C(O)(c1cncs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is UWTFQLJMPALPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-7(2,3)8(14,9(10,11)12)6-4-13-5-15-6/h4-5,14H,1-3H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol?
1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 239.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 141103136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).