1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone

C8H8F3NOS — CID 79964750

IUPAC1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C8H8F3NOS/c1-5(13)6-4-12-7(14-6)2-3-8(9,10)11/h4H,2-3H2,1H3
InChIKeyCYIQLOGECPBTTD-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone

1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 79964750) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone
PubChem CID79964750
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C8H8F3NOS/c1-5(13)6-4-12-7(14-6)2-3-8(9,10)11/h4H,2-3H2,1H3
InChIKeyCYIQLOGECPBTTD-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone (CID 79964750) is 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(CCC(F)(F)F)s1.
What is the InChIKey of 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is CYIQLOGECPBTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-5(13)6-4-12-7(14-6)2-3-8(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 223.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 79964750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).