2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide

C8H4F4O2S2 — CID 134959115

IUPAC2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide
SMILESO=S1(=O)C(F)=C(F)C2(F)C3C=CC(S3)C21F
InChIInChI=1S/C8H4F4O2S2/c9-5-6(10)16(13,14)8(12)4-2-1-3(15-4)7(5,8)11/h1-4H
InChIKeyQLFYSXQBWZGXRQ-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.95
Rot. Bonds

About 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide

2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide (PubChem CID 134959115) has the molecular formula C8H4F4O2S2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide.

Molecular Properties

Compound Name2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide
PubChem CID134959115
Molecular FormulaC8H4F4O2S2
Molecular Weight272.24 g/mol
Exact Mass271.96
IUPAC Name2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide
SMILESO=S1(=O)C(F)=C(F)C2(F)C3C=CC(S3)C21F
InChIInChI=1S/C8H4F4O2S2/c9-5-6(10)16(13,14)8(12)4-2-1-3(15-4)7(5,8)11/h1-4H
InChIKeyQLFYSXQBWZGXRQ-UHFFFAOYSA-N
XLogP1.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide with MolForge

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Related Compounds

(1S,2S,6S,7R)-3lambda4,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 15785532
(1S,2S,6S,7R)-3lambda6,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3,10-trioxide
CID 15785534
(1S,2S,3R,6S,7R)-3lambda4,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 10976506
(1S,2S,3S,6S,7R)-3lambda4,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 11127296
(1R,2S,6S,7R)-3lambda6,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3,10-trioxide
CID 21854857
(6S,7R)-1,2,4,7-tetradeuterio-3lambda4,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 21854858
(1R,2R,6R,7S)-3lambda4,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 23247495
(1S,2S,3R,6S)-3lambda4,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 42615045
(1S,2S,3S,6S)-3lambda4,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 42615046
3lambda4,10lambda4-Dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 73849384
(2R,6R)-3lambda4,10lambda4-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide
CID 101342187

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide?
The IUPAC name of 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide (CID 134959115) is 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide.
What is the SMILES notation for 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide?
The canonical SMILES for 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide is O=S1(=O)C(F)=C(F)C2(F)C3C=CC(S3)C21F.
What is the InChIKey of 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide?
The InChIKey is QLFYSXQBWZGXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2S2/c9-5-6(10)16(13,14)8(12)4-2-1-3(15-4)7(5,8)11/h1-4H.
What are the key properties of 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide?
2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide has a molecular weight of 272.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrafluoro-3λ6,10-dithiatricyclo[5.2.1.02,6]deca-4,8-diene 3,3-dioxide is sourced from PubChem (CID 134959115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).