4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol

C7H8F3NOS — CID 79823566

IUPAC4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESOC(Cc1nccs1)CC(F)(F)F
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)4-5(12)3-6-11-1-2-13-6/h1-2,5,12H,3-4H2
InChIKeyIRDAWQFGBTUNKS-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.00
Rot. Bonds3

About 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol

4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 79823566) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID79823566
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESOC(Cc1nccs1)CC(F)(F)F
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)4-5(12)3-6-11-1-2-13-6/h1-2,5,12H,3-4H2
InChIKeyIRDAWQFGBTUNKS-UHFFFAOYSA-N
XLogP2.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol (CID 79823566) is 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol is OC(Cc1nccs1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is IRDAWQFGBTUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)4-5(12)3-6-11-1-2-13-6/h1-2,5,12H,3-4H2.
What are the key properties of 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol?
4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 211.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 79823566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).