4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide

C4H4F5NO2S2 — CID 138698377

IUPAC4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide
SMILESCC1(F)C(F)(F)S(=O)NS(=O)C1(F)F
InChIInChI=1S/C4H4F5NO2S2/c1-2(5)3(6,7)13(11)10-14(12)4(2,8)9/h10H,1H3
InChIKeyBFBFVMYCUNANRY-UHFFFAOYSA-N
MW257.20 g/mol
LogP0.83
Rot. Bonds

About 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide

4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide (PubChem CID 138698377) has the molecular formula C4H4F5NO2S2 and a molecular weight of 257.20 g/mol. Its IUPAC name is 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide.

Molecular Properties

Compound Name4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide
PubChem CID138698377
Molecular FormulaC4H4F5NO2S2
Molecular Weight257.20 g/mol
Exact Mass256.96
IUPAC Name4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide
SMILESCC1(F)C(F)(F)S(=O)NS(=O)C1(F)F
InChIInChI=1S/C4H4F5NO2S2/c1-2(5)3(6,7)13(11)10-14(12)4(2,8)9/h10H,1H3
InChIKeyBFBFVMYCUNANRY-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 59503102
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
5-Ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 126695656
4,4,5,6-Tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 154554028
4,4,5,5,6-Pentafluoro-6-methyl-1,3,2-dithiazinane 1,1,3-trioxide
CID 162591846

Frequently Asked Questions

What is the IUPAC name of 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide?
The IUPAC name of 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide (CID 138698377) is 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide.
What is the SMILES notation for 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide?
The canonical SMILES for 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide is CC1(F)C(F)(F)S(=O)NS(=O)C1(F)F.
What is the InChIKey of 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide?
The InChIKey is BFBFVMYCUNANRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5NO2S2/c1-2(5)3(6,7)13(11)10-14(12)4(2,8)9/h10H,1H3.
What are the key properties of 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide?
4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide has a molecular weight of 257.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6,6-pentafluoro-5-methyl-1,3,2-dithiazinane 1,3-dioxide is sourced from PubChem (CID 138698377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).