4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide

C7H13F2NOS — CID 130650862

IUPAC4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide
SMILESCC1CN(CC(F)F)CCS1=O
InChIInChI=1S/C7H13F2NOS/c1-6-4-10(5-7(8)9)2-3-12(6)11/h6-7H,2-5H2,1H3
InChIKeyJBBGLWPBXPVMJG-UHFFFAOYSA-N
MW197.25 g/mol
LogP0.70
Rot. Bonds2

About 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide

4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide (PubChem CID 130650862) has the molecular formula C7H13F2NOS and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide
PubChem CID130650862
Molecular FormulaC7H13F2NOS
Molecular Weight197.25 g/mol
Exact Mass197.07
IUPAC Name4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide
SMILESCC1CN(CC(F)F)CCS1=O
InChIInChI=1S/C7H13F2NOS/c1-6-4-10(5-7(8)9)2-3-12(6)11/h6-7H,2-5H2,1H3
InChIKeyJBBGLWPBXPVMJG-UHFFFAOYSA-N
XLogP0.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide (CID 130650862) is 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide is CC1CN(CC(F)F)CCS1=O.
What is the InChIKey of 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide?
The InChIKey is JBBGLWPBXPVMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NOS/c1-6-4-10(5-7(8)9)2-3-12(6)11/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide?
4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide has a molecular weight of 197.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130650862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).