1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol

C7H4F3NO2S — CID 22392089

IUPAC1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol
SMILESC#CC(O)c1csc(OC(F)(F)F)n1
InChIInChI=1S/C7H4F3NO2S/c1-2-5(12)4-3-14-6(11-4)13-7(8,9)10/h1,3,5,12H
InChIKeyUWDCGUYNYGUPOT-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.71
Rot. Bonds2

About 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol

1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol (PubChem CID 22392089) has the molecular formula C7H4F3NO2S and a molecular weight of 223.17 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol
PubChem CID22392089
Molecular FormulaC7H4F3NO2S
Molecular Weight223.17 g/mol
Exact Mass222.99
IUPAC Name1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol
SMILESC#CC(O)c1csc(OC(F)(F)F)n1
InChIInChI=1S/C7H4F3NO2S/c1-2-5(12)4-3-14-6(11-4)13-7(8,9)10/h1,3,5,12H
InChIKeyUWDCGUYNYGUPOT-UHFFFAOYSA-N
XLogP1.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The IUPAC name of 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol (CID 22392089) is 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol.
What is the SMILES notation for 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The canonical SMILES for 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol is C#CC(O)c1csc(OC(F)(F)F)n1.
What is the InChIKey of 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The InChIKey is UWDCGUYNYGUPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2S/c1-2-5(12)4-3-14-6(11-4)13-7(8,9)10/h1,3,5,12H.
What are the key properties of 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol has a molecular weight of 223.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol is sourced from PubChem (CID 22392089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).