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

C10H8F3NOS — CID 106784131

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one
SMILESO=C1C=C(c2cnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)9-14-5-8(16-9)6-2-1-3-7(15)4-6/h4-5H,1-3H2
InChIKeyQVEVZCJEFQAMNG-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.30
Rot. Bonds1

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

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one (PubChem CID 106784131) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one
PubChem CID106784131
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one
SMILESO=C1C=C(c2cnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)9-14-5-8(16-9)6-2-1-3-7(15)4-6/h4-5H,1-3H2
InChIKeyQVEVZCJEFQAMNG-UHFFFAOYSA-N
XLogP3.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-ol
CID 106784213
5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 106787601
5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 136696919
2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
CID 114026517
methyl 1-oxo-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-2H-1,2,6-thiadiazine-5-carboxylate
CID 142420139
5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784270
1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782166
cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 106783896
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine
CID 176884304
2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid
CID 146571352

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one (CID 106784131) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one is O=C1C=C(c2cnc(C(F)(F)F)s2)CCC1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one?
The InChIKey is QVEVZCJEFQAMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c11-10(12,13)9-14-5-8(16-9)6-2-1-3-7(15)4-6/h4-5H,1-3H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one has a molecular weight of 247.24 g/mol, XLogP of 3.30, 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]cyclohex-2-en-1-one is sourced from PubChem (CID 106784131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).