3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one

C9H10F3NOS — CID 164652779

IUPAC3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)(C)C(F)(F)F)cs1
InChIInChI=1S/C9H10F3NOS/c1-5-13-6(4-15-5)7(14)8(2,3)9(10,11)12/h4H,1-3H3
InChIKeyIQZWGAIXFYUUAS-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.22
Rot. Bonds2

About 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one

3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 164652779) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID164652779
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)(C)C(F)(F)F)cs1
InChIInChI=1S/C9H10F3NOS/c1-5-13-6(4-15-5)7(14)8(2,3)9(10,11)12/h4H,1-3H3
InChIKeyIQZWGAIXFYUUAS-UHFFFAOYSA-N
XLogP3.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one
CID 64544412
2-Methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-one
CID 67968357
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-4-yl]butan-1-one
CID 70665471
1-(2-(Trifluoromethyl)thiazol-4-yl)ethanone
CID 82657163
1-[2-(1,1,2,2,2-Pentafluoroethyl)-1,3-thiazol-4-yl]ethanone
CID 126498062
1-[2-(1-Fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone
CID 126498064
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
CID 130328564
1-(2-Fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
CID 138579041
1-[2-(Trifluoromethyl)-1,3-thiazol-4-yl]propan-1-one
CID 146232258
2-Butyl-1-(2-fluoro-1,3-thiazol-4-yl)-2-methylnonan-1-one
CID 146632982
2-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]nonan-1-one
CID 150419911
Ethane;1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 171502262

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one (CID 164652779) is 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one is Cc1nc(C(=O)C(C)(C)C(F)(F)F)cs1.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is IQZWGAIXFYUUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-5-13-6(4-15-5)7(14)8(2,3)9(10,11)12/h4H,1-3H3.
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
3,3,3-trifluoro-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 237.25 g/mol, XLogP of 3.22, 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-2,2-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 164652779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).