2-ethyl-4,4-difluorothiazinane 1,1-dioxide

C6H11F2NO2S — CID 89380672

IUPAC2-ethyl-4,4-difluorothiazinane 1,1-dioxide
SMILESCCN1CC(F)(F)CCS1(=O)=O
InChIInChI=1S/C6H11F2NO2S/c1-2-9-5-6(7,8)3-4-12(9,10)11/h2-5H2,1H3
InChIKeyADAJTILWYXQEBV-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.68
Rot. Bonds1

About 2-ethyl-4,4-difluorothiazinane 1,1-dioxide

2-ethyl-4,4-difluorothiazinane 1,1-dioxide (PubChem CID 89380672) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-ethyl-4,4-difluorothiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-4,4-difluorothiazinane 1,1-dioxide
PubChem CID89380672
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name2-ethyl-4,4-difluorothiazinane 1,1-dioxide
SMILESCCN1CC(F)(F)CCS1(=O)=O
InChIInChI=1S/C6H11F2NO2S/c1-2-9-5-6(7,8)3-4-12(9,10)11/h2-5H2,1H3
InChIKeyADAJTILWYXQEBV-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-difluorothiazinane 1,1-dioxide?
The IUPAC name of 2-ethyl-4,4-difluorothiazinane 1,1-dioxide (CID 89380672) is 2-ethyl-4,4-difluorothiazinane 1,1-dioxide.
What is the SMILES notation for 2-ethyl-4,4-difluorothiazinane 1,1-dioxide?
The canonical SMILES for 2-ethyl-4,4-difluorothiazinane 1,1-dioxide is CCN1CC(F)(F)CCS1(=O)=O.
What is the InChIKey of 2-ethyl-4,4-difluorothiazinane 1,1-dioxide?
The InChIKey is ADAJTILWYXQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-2-9-5-6(7,8)3-4-12(9,10)11/h2-5H2,1H3.
What are the key properties of 2-ethyl-4,4-difluorothiazinane 1,1-dioxide?
2-ethyl-4,4-difluorothiazinane 1,1-dioxide has a molecular weight of 199.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-difluorothiazinane 1,1-dioxide is sourced from PubChem (CID 89380672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).