2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole

C6H6F3NOS — CID 126954000

IUPAC2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
SMILESCC(Oc1nccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c1-4(6(7,8)9)11-5-10-2-3-12-5/h2-4H,1H3
InChIKeyOCABWLFBDBCGJS-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.47
Rot. Bonds2

About 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole

2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole (PubChem CID 126954000) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
PubChem CID126954000
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
SMILESCC(Oc1nccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c1-4(6(7,8)9)11-5-10-2-3-12-5/h2-4H,1H3
InChIKeyOCABWLFBDBCGJS-UHFFFAOYSA-N
XLogP2.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole (CID 126954000) is 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole is CC(Oc1nccs1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
The InChIKey is OCABWLFBDBCGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-4(6(7,8)9)11-5-10-2-3-12-5/h2-4H,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole?
2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole has a molecular weight of 197.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole is sourced from PubChem (CID 126954000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).