4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one

C11H14F3NOS — CID 106784124

IUPAC4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one
SMILESCC(C)(C)C(=O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3NOS/c1-10(2,3)8(16)5-4-7-6-15-9(17-7)11(12,13)14/h6H,4-5H2,1-3H3
InChIKeyPYMRWRJXSPZHBS-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.71
Rot. Bonds3

About 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one

4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one (PubChem CID 106784124) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one
PubChem CID106784124
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one
SMILESCC(C)(C)C(=O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3NOS/c1-10(2,3)8(16)5-4-7-6-15-9(17-7)11(12,13)14/h6H,4-5H2,1-3H3
InChIKeyPYMRWRJXSPZHBS-UHFFFAOYSA-N
XLogP3.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one?
The IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one (CID 106784124) is 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one is CC(C)(C)C(=O)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one?
The InChIKey is PYMRWRJXSPZHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-10(2,3)8(16)5-4-7-6-15-9(17-7)11(12,13)14/h6H,4-5H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one?
4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one has a molecular weight of 265.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-one is sourced from PubChem (CID 106784124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).