4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

C3H4F2NO4S2- — CID 59623485

IUPAC4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)CCC(F)(F)S(=O)(=O)[N-]1
InChIInChI=1S/C3H4F2NO4S2/c4-3(5)1-2-11(7,8)6-12(3,9)10/h1-2H2/q-1
InChIKeyFDHBMNIUNTYZRC-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.02
Rot. Bonds

About 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (PubChem CID 59623485) has the molecular formula C3H4F2NO4S2- and a molecular weight of 220.20 g/mol. Its IUPAC name is 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
PubChem CID59623485
Molecular FormulaC3H4F2NO4S2-
Molecular Weight220.20 g/mol
Exact Mass219.96
IUPAC Name4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)CCC(F)(F)S(=O)(=O)[N-]1
InChIInChI=1S/C3H4F2NO4S2/c4-3(5)1-2-11(7,8)6-12(3,9)10/h1-2H2/q-1
InChIKeyFDHBMNIUNTYZRC-UHFFFAOYSA-N
XLogP0.02
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (CID 59623485) is 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is O=S1(=O)CCC(F)(F)S(=O)(=O)[N-]1.
What is the InChIKey of 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The InChIKey is FDHBMNIUNTYZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2NO4S2/c4-3(5)1-2-11(7,8)6-12(3,9)10/h1-2H2/q-1.
What are the key properties of 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide has a molecular weight of 220.20 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is sourced from PubChem (CID 59623485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).