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

C10H10F3NOS — CID 106784116

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCCC(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-8(16-9)6-2-1-3-7(15)4-6/h5-6H,1-4H2
InChIKeyWCZGEAINZGMWLR-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.39
Rot. Bonds1

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

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one (PubChem CID 106784116) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
PubChem CID106784116
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCCC(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-8(16-9)6-2-1-3-7(15)4-6/h5-6H,1-4H2
InChIKeyWCZGEAINZGMWLR-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
CID 106784117
2,2,2-Trifluoro-1-[5-(7,7,7-trifluoroheptyl)-1,3-thiazol-2-yl]ethanone
CID 117719632
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
4-Hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
CID 106782155
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one (CID 106784116) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one is O=C1CCCC(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The InChIKey is WCZGEAINZGMWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-8(16-9)6-2-1-3-7(15)4-6/h5-6H,1-4H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one has a molecular weight of 249.26 g/mol, XLogP of 3.39, 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]cyclohexan-1-one is sourced from PubChem (CID 106784116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).