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

C10H12F3NO2S — CID 106782642

IUPAC2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
SMILESCCOC(CC)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-3-6(16-4-2)8(15)7-5-14-9(17-7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyUMSDVVXDGQMHNT-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.16
Rot. Bonds5

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

2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one (PubChem CID 106782642) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
PubChem CID106782642
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
SMILESCCOC(CC)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-3-6(16-4-2)8(15)7-5-14-9(17-7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyUMSDVVXDGQMHNT-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one (CID 106782642) is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one.
What is the SMILES notation for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The canonical SMILES for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one is CCOC(CC)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The InChIKey is UMSDVVXDGQMHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-3-6(16-4-2)8(15)7-5-14-9(17-7)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one has a molecular weight of 267.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one is sourced from PubChem (CID 106782642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).