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

C10H10F3NOS — CID 106784055

IUPAC2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCCCC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-8(16-9)6-3-1-2-4-7(6)15/h5-6H,1-4H2
InChIKeyXVWRRYRLCVCBTH-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.39
Rot. Bonds1

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

2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one (PubChem CID 106784055) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
PubChem CID106784055
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCCCC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-8(16-9)6-3-1-2-4-7(6)15/h5-6H,1-4H2
InChIKeyXVWRRYRLCVCBTH-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one (CID 106784055) is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one is O=C1CCCCC1c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The InChIKey is XVWRRYRLCVCBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-8(16-9)6-3-1-2-4-7(6)15/h5-6H,1-4H2.
What are the key properties of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
2-[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 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 106784055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).