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

C7H4F3NO2S — CID 21299762

IUPAC3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(OC(F)(F)F)n1
InChIInChI=1S/C7H4F3NO2S/c8-7(9,10)13-6-11-5(4-14-6)2-1-3-12/h4,12H,3H2
InChIKeySDDDSIISAJGDMC-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.39
Rot. Bonds1

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

3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol (PubChem CID 21299762) has the molecular formula C7H4F3NO2S and a molecular weight of 223.17 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol
PubChem CID21299762
Molecular FormulaC7H4F3NO2S
Molecular Weight223.17 g/mol
Exact Mass222.99
IUPAC Name3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(OC(F)(F)F)n1
InChIInChI=1S/C7H4F3NO2S/c8-7(9,10)13-6-11-5(4-14-6)2-1-3-12/h4,12H,3H2
InChIKeySDDDSIISAJGDMC-UHFFFAOYSA-N
XLogP1.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-(Trifluoromethyl)-1,3-thiazol-2-yl)methanol
CID 23560688
2-(Difluoromethoxy)-4-methyl-1,3-thiazole
CID 20719786
4-Thiazolemethanol, 2-(difluoromethoxy)-
CID 54288557
2-Methoxy-4-(trifluoromethyl)-1,3-thiazole
CID 59710653
2-Thiazolemethanol, 4-(difluoromethyl)-
CID 68096379
3-[2-(Fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol
CID 68606783
2-(4-(Trifluoromethyl)thiazol-2-yl)ethan-1-ol
CID 84667361
2-Ethoxy-4-(trifluoromethyl)-1,3-thiazole
CID 89008183
4-Prop-1-ynyl-2-(trifluoromethoxy)-1,3-thiazole
CID 91400151
[4-(Trifluoromethyl)-1,3-thiazol-2-yl]methanediol
CID 123340603
[4-(Trifluoromethyl)-1,3-thiazol-2-yl] hydrogen carbonate
CID 129283892
(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol
CID 155363994

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol (CID 21299762) is 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol is OCC#Cc1csc(OC(F)(F)F)n1.
What is the InChIKey of 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The InChIKey is SDDDSIISAJGDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2S/c8-7(9,10)13-6-11-5(4-14-6)2-1-3-12/h4,12H,3H2.
What are the key properties of 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol has a molecular weight of 223.17 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol is sourced from PubChem (CID 21299762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).