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

C8H10F3NOS — CID 153329552

IUPAC1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol
SMILESCC(C)C(O)(c1nccs1)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-5(2)7(13,8(9,10)11)6-12-3-4-14-6/h3-5,13H,1-2H3
InChIKeyOJPADPLJQZXDOE-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.55
Rot. Bonds2

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

1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 153329552) has the molecular formula C8H10F3NOS and a molecular weight of 225.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID153329552
Molecular FormulaC8H10F3NOS
Molecular Weight225.24 g/mol
Exact Mass225.04
IUPAC Name1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol
SMILESCC(C)C(O)(c1nccs1)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-5(2)7(13,8(9,10)11)6-12-3-4-14-6/h3-5,13H,1-2H3
InChIKeyOJPADPLJQZXDOE-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol (CID 153329552) is 1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol is CC(C)C(O)(c1nccs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is OJPADPLJQZXDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5(2)7(13,8(9,10)11)6-12-3-4-14-6/h3-5,13H,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol?
1,1,1-trifluoro-3-methyl-2-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 225.24 g/mol, XLogP of 2.55, 2 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-2-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 153329552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).