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

C7H7F2NOS — CID 84771796

IUPAC1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C(C)(F)F)s1
InChIInChI=1S/C7H7F2NOS/c1-4(11)5-3-10-6(12-5)7(2,8)9/h3H,1-2H3
InChIKeyUPSJEMXEZQBPSL-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.46
Rot. Bonds2

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

1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 84771796) has the molecular formula C7H7F2NOS and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID84771796
Molecular FormulaC7H7F2NOS
Molecular Weight191.20 g/mol
Exact Mass191.02
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C(C)(F)F)s1
InChIInChI=1S/C7H7F2NOS/c1-4(11)5-3-10-6(12-5)7(2,8)9/h3H,1-2H3
InChIKeyUPSJEMXEZQBPSL-UHFFFAOYSA-N
XLogP2.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone (CID 84771796) is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(C(C)(F)F)s1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is UPSJEMXEZQBPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NOS/c1-4(11)5-3-10-6(12-5)7(2,8)9/h3H,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 191.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 84771796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).