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

C9H8F3NOS — CID 106784117

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
SMILESO=C1CCC(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)8-13-4-7(15-8)5-1-2-6(14)3-5/h4-5H,1-3H2
InChIKeyYSHVTPPTOKBQOC-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.00
Rot. Bonds1

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

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one (PubChem CID 106784117) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
PubChem CID106784117
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
SMILESO=C1CCC(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)8-13-4-7(15-8)5-1-2-6(14)3-5/h4-5H,1-3H2
InChIKeyYSHVTPPTOKBQOC-UHFFFAOYSA-N
XLogP3.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.00
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
2-[3-[2-[2-(3,3-Difluorocyclobutyl)-1,3-thiazol-5-yl]acetyl]cyclobutyl]acetonitrile
CID 160214711
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-one
CID 103311562
2-(1,3-Thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105126156
1-(4,4-Difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126185
3-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
Cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782437
Cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782439
Cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
4-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106782453
(4-Methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782461
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782491

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one (CID 106784117) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one is O=C1CCC(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one?
The InChIKey is YSHVTPPTOKBQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c10-9(11,12)8-13-4-7(15-8)5-1-2-6(14)3-5/h4-5H,1-3H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one has a molecular weight of 235.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one is sourced from PubChem (CID 106784117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).