3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

C7H3F6NOS — CID 106782449

IUPAC3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESO=C(CC(F)(F)F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H3F6NOS/c8-6(9,10)1-3(15)4-2-14-5(16-4)7(11,12)13/h2H,1H2
InChIKeySGVZEZGRZZHDSS-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.30
Rot. Bonds2

About 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782449) has the molecular formula C7H3F6NOS and a molecular weight of 263.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782449
Molecular FormulaC7H3F6NOS
Molecular Weight263.16 g/mol
Exact Mass262.98
IUPAC Name3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESO=C(CC(F)(F)F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H3F6NOS/c8-6(9,10)1-3(15)4-2-14-5(16-4)7(11,12)13/h2H,1H2
InChIKeySGVZEZGRZZHDSS-UHFFFAOYSA-N
XLogP3.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-5-yl)ethan-1-one
CID 14042329
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-one
CID 20815186
1-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165972733
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
Ethanone, 1-(2-bromo-5-thiazolyl)-2,2,2-trifluoro-
CID 67324338
2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 69192063
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 69675720
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2,2-Difluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 87864891
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782449) is 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is O=C(CC(F)(F)F)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is SGVZEZGRZZHDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NOS/c8-6(9,10)1-3(15)4-2-14-5(16-4)7(11,12)13/h2H,1H2.
What are the key properties of 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 263.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).