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

C7H8F3NOS — CID 141103138

IUPAC1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(c1cncs1)C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c1-2-6(12,7(8,9)10)5-3-11-4-13-5/h3-4,12H,2H2,1H3
InChIKeyMKFNZHJMLYGRSD-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.30
Rot. Bonds2

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

1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 141103138) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID141103138
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(c1cncs1)C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c1-2-6(12,7(8,9)10)5-3-11-4-13-5/h3-4,12H,2H2,1H3
InChIKeyMKFNZHJMLYGRSD-UHFFFAOYSA-N
XLogP2.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.30
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-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol (CID 141103138) is 1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol is CCC(O)(c1cncs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is MKFNZHJMLYGRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-2-6(12,7(8,9)10)5-3-11-4-13-5/h3-4,12H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol?
1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 211.21 g/mol, XLogP of 2.30, 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-(1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 141103138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).