2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

C6H9F2NO2S — CID 103515643

IUPAC2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(C(F)F)N1CCS(=O)CC1
InChIInChI=1S/C6H9F2NO2S/c7-5(8)6(10)9-1-3-12(11)4-2-9/h5H,1-4H2
InChIKeyPUXTWPFNGPUFHR-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.16
Rot. Bonds1

About 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 103515643) has the molecular formula C6H9F2NO2S and a molecular weight of 197.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID103515643
Molecular FormulaC6H9F2NO2S
Molecular Weight197.21 g/mol
Exact Mass197.03
IUPAC Name2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(C(F)F)N1CCS(=O)CC1
InChIInChI=1S/C6H9F2NO2S/c7-5(8)6(10)9-1-3-12(11)4-2-9/h5H,1-4H2
InChIKeyPUXTWPFNGPUFHR-UHFFFAOYSA-N
XLogP-0.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 103515643) is 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is O=C(C(F)F)N1CCS(=O)CC1.
What is the InChIKey of 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is PUXTWPFNGPUFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2S/c7-5(8)6(10)9-1-3-12(11)4-2-9/h5H,1-4H2.
What are the key properties of 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 197.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 103515643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).