4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole

C7H4F3NOS — CID 91400151

IUPAC4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole
SMILESCC#Cc1csc(OC(F)(F)F)n1
InChIInChI=1S/C7H4F3NOS/c1-2-3-5-4-13-6(11-5)12-7(8,9)10/h4H,1H3
InChIKeyPRCYOZWOXKHJRF-UHFFFAOYSA-N
MW207.18 g/mol
LogP2.41
Rot. Bonds1

About 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole

4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole (PubChem CID 91400151) has the molecular formula C7H4F3NOS and a molecular weight of 207.18 g/mol. Its IUPAC name is 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole
PubChem CID91400151
Molecular FormulaC7H4F3NOS
Molecular Weight207.18 g/mol
Exact Mass207.00
IUPAC Name4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole
SMILESCC#Cc1csc(OC(F)(F)F)n1
InChIInChI=1S/C7H4F3NOS/c1-2-3-5-4-13-6(11-5)12-7(8,9)10/h4H,1H3
InChIKeyPRCYOZWOXKHJRF-UHFFFAOYSA-N
XLogP2.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole?
The IUPAC name of 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole (CID 91400151) is 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole.
What is the SMILES notation for 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole?
The canonical SMILES for 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole is CC#Cc1csc(OC(F)(F)F)n1.
What is the InChIKey of 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole?
The InChIKey is PRCYOZWOXKHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NOS/c1-2-3-5-4-13-6(11-5)12-7(8,9)10/h4H,1H3.
What are the key properties of 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole?
4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole has a molecular weight of 207.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole is sourced from PubChem (CID 91400151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).