4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

C4H5F4NO4S2 — CID 59503102

IUPAC4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCC1C(F)(F)S(=O)(=O)NS(=O)(=O)C1(F)F
InChIInChI=1S/C4H5F4NO4S2/c1-2-3(5,6)14(10,11)9-15(12,13)4(2,7)8/h2,9H,1H3
InChIKeyAJRQMJBSWZXVCH-UHFFFAOYSA-N
MW271.21 g/mol
LogP0.07
Rot. Bonds

About 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 59503102) has the molecular formula C4H5F4NO4S2 and a molecular weight of 271.21 g/mol. Its IUPAC name is 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID59503102
Molecular FormulaC4H5F4NO4S2
Molecular Weight271.21 g/mol
Exact Mass270.96
IUPAC Name4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCC1C(F)(F)S(=O)(=O)NS(=O)(=O)C1(F)F
InChIInChI=1S/C4H5F4NO4S2/c1-2-3(5,6)14(10,11)9-15(12,13)4(2,7)8/h2,9H,1H3
InChIKeyAJRQMJBSWZXVCH-UHFFFAOYSA-N
XLogP0.07
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,5,5,6-Pentafluoro-6-methyl-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58341495
4,4,5,5,6-Pentafluoro-6-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58341496
4,4,6,6-Tetrafluoro-5-methyl-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 59503101
4,4,6,6-Tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1-dioxide
CID 68332908
4,4,5,6,6-Pentafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 117656082
4,4,5,5,6-Pentafluoro-2,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 124029001
5-Ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 126695656
4,4,6,6-Tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 130280146
4,4,5,6,6-Pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide
CID 138698377
1,1-difluoro-N-iodo-2-methyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 139318255
4-Ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 139545651
4,4,5,5,6,6-Hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;methane
CID 159242309

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 59503102) is 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is CC1C(F)(F)S(=O)(=O)NS(=O)(=O)C1(F)F.
What is the InChIKey of 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is AJRQMJBSWZXVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4NO4S2/c1-2-3(5,6)14(10,11)9-15(12,13)4(2,7)8/h2,9H,1H3.
What are the key properties of 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 271.21 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 59503102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).