cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C8H6F3NOS — CID 106782439

IUPACcyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)7-12-3-5(14-7)6(13)4-1-2-4/h3-4H,1-2H2
InChIKeyXAWAVYOOKLOVTD-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.75
Rot. Bonds2

About cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782439) has the molecular formula C8H6F3NOS and a molecular weight of 221.20 g/mol. Its IUPAC name is cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782439
Molecular FormulaC8H6F3NOS
Molecular Weight221.20 g/mol
Exact Mass221.01
IUPAC Namecyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)7-12-3-5(14-7)6(13)4-1-2-4/h3-4H,1-2H2
InChIKeyXAWAVYOOKLOVTD-UHFFFAOYSA-N
XLogP2.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
CID 106784117
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 129269984
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 137444337
(2-Methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 165405000
2-Cyclobutyl-3-oxo-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanenitrile
CID 169169382
Ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 170758118
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
CID 174708921
2-Cyclobutyl-2-isocyano-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 176762819

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782439) is cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CC1.
What is the InChIKey of cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is XAWAVYOOKLOVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NOS/c9-8(10,11)7-12-3-5(14-7)6(13)4-1-2-4/h3-4H,1-2H2.
What are the key properties of cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 221.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).