4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

C3H2F4NO4S2- — CID 58481020

IUPAC4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)CC1(F)F
InChIInChI=1S/C3H2F4NO4S2/c4-2(5)1-3(6,7)14(11,12)8-13(2,9)10/h1H2/q-1
InChIKeySLLICOBEFKMVOG-UHFFFAOYSA-N
MW256.18 g/mol
LogP0.61
Rot. Bonds

About 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (PubChem CID 58481020) has the molecular formula C3H2F4NO4S2- and a molecular weight of 256.18 g/mol. Its IUPAC name is 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
PubChem CID58481020
Molecular FormulaC3H2F4NO4S2-
Molecular Weight256.18 g/mol
Exact Mass255.94
IUPAC Name4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)CC1(F)F
InChIInChI=1S/C3H2F4NO4S2/c4-2(5)1-3(6,7)14(11,12)8-13(2,9)10/h1H2/q-1
InChIKeySLLICOBEFKMVOG-UHFFFAOYSA-N
XLogP0.61
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (CID 58481020) is 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is O=S1(=O)[N-]S(=O)(=O)C(F)(F)CC1(F)F.
What is the InChIKey of 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The InChIKey is SLLICOBEFKMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4NO4S2/c4-2(5)1-3(6,7)14(11,12)8-13(2,9)10/h1H2/q-1.
What are the key properties of 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide has a molecular weight of 256.18 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetrafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is sourced from PubChem (CID 58481020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).