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

C9H8F3NOS — CID 106782505

IUPACcyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)8-13-4-6(15-8)7(14)5-2-1-3-5/h4-5H,1-3H2
InChIKeyZZCOAPJBHVPFER-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.14
Rot. Bonds2

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

cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782505) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782505
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Namecyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)8-13-4-6(15-8)7(14)5-2-1-3-5/h4-5H,1-3H2
InChIKeyZZCOAPJBHVPFER-UHFFFAOYSA-N
XLogP3.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,2,2-Trifluoro-1-[2-[4-(2-methylbut-3-enyl)cyclooctyl]-1,3-thiazol-5-yl]ethanone
CID 163453156
(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
2-Cyclobutyl-2-isocyano-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 176762819
4,4-Dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pentan-1-one
CID 135058218
2,3,3-Trimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-one
CID 135075591
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)butan-1-one
CID 80477340
(2-Ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 105743920

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782505) is cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CCC1.
What is the InChIKey of cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is ZZCOAPJBHVPFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c10-9(11,12)8-13-4-6(15-8)7(14)5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 235.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).