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

C8H10F3NOS — CID 71052761

IUPAC1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(c1cnc(C)s1)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-3-7(13,8(9,10)11)6-4-12-5(2)14-6/h4,13H,3H2,1-2H3
InChIKeyXFZAWUDHZMMSCC-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.61
Rot. Bonds2

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

1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol (PubChem CID 71052761) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
PubChem CID71052761
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(c1cnc(C)s1)C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-3-7(13,8(9,10)11)6-4-12-5(2)14-6/h4,13H,3H2,1-2H3
InChIKeyXFZAWUDHZMMSCC-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.61
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-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol (CID 71052761) is 1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol is CCC(O)(c1cnc(C)s1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is XFZAWUDHZMMSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-3-7(13,8(9,10)11)6-4-12-5(2)14-6/h4,13H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol?
1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 225.23 g/mol, XLogP of 2.61, 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-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 71052761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).