2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C8H8F3NO3S — CID 106782576

IUPAC2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOC(OC)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO3S/c1-14-6(15-2)5(13)4-3-12-7(16-4)8(9,10)11/h3,6H,1-2H3
InChIKeyVLKOWOAUXCRFTG-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.96
Rot. Bonds4

About 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106782576) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106782576
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOC(OC)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO3S/c1-14-6(15-2)5(13)4-3-12-7(16-4)8(9,10)11/h3,6H,1-2H3
InChIKeyVLKOWOAUXCRFTG-UHFFFAOYSA-N
XLogP1.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 155978068
1-(2-Ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
CID 142920659
Ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 170758118
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150093
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150094
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782452
2-Propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782460
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782500
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782538
2-Methoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782574
2,2-Diethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782577
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782578

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106782576) is 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is COC(OC)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VLKOWOAUXCRFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c1-14-6(15-2)5(13)4-3-12-7(16-4)8(9,10)11/h3,6H,1-2H3.
What are the key properties of 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 255.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106782576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).