(4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide

C5H4F4O6S2 — CID 130351250

IUPAC(4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide
SMILESO=S1(=O)OC(F)C2(C(F)OS(=O)(=O)[C@@H]2F)C1F
InChIInChI=1S/C5H4F4O6S2/c6-1-5(3(8)16(10,11)14-1)2(7)15-17(12,13)4(5)9/h1-4H/t1?,2?,3-,4?,5?/m0/s1
InChIKeyHGNZJEJMPDGDCO-BQKPUXPDSA-N
MW300.21 g/mol
LogP-0.12
Rot. Bonds

About (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide

(4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide (PubChem CID 130351250) has the molecular formula C5H4F4O6S2 and a molecular weight of 300.21 g/mol. Its IUPAC name is (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide.

Molecular Properties

Compound Name(4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide
PubChem CID130351250
Molecular FormulaC5H4F4O6S2
Molecular Weight300.21 g/mol
Exact Mass299.94
IUPAC Name(4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide
SMILESO=S1(=O)OC(F)C2(C(F)OS(=O)(=O)[C@@H]2F)C1F
InChIInChI=1S/C5H4F4O6S2/c6-1-5(3(8)16(10,11)14-1)2(7)15-17(12,13)4(5)9/h1-4H/t1?,2?,3-,4?,5?/m0/s1
InChIKeyHGNZJEJMPDGDCO-BQKPUXPDSA-N
XLogP-0.12
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-difluoro-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide
CID 86065882
4,9-difluoro-1,3,6-trioxa-2λ6,7λ6-dithiaspiro[4.4]nonane 2,2,7,7-tetraoxide
CID 130334798
4-ethynyl-3,5-difluorooxathiolane 2,2-dioxide
CID 89446970
5-ethynyl-4-fluorooxathiolane 2,2-dioxide
CID 88889801
4-fluoro-4-(trifluoromethyl)oxathietane 2,2-dioxide
CID 134896403
3,6-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 54523340
4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide
CID 146263750
4-fluoro-5-methylidene-1,2,5-oxadithiolane 2,2,5-trioxide
CID 163421589
3-fluorooxathiepane 2,2-dioxide
CID 89251516
(5-fluoro-2,2-dioxooxathiolan-4-yl) methanesulfonate
CID 155217737
4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide
CID 87128603
6-fluorooxathiepane 2,2-dioxide
CID 89251329

Frequently Asked Questions

What is the IUPAC name of (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide?
The IUPAC name of (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide (CID 130351250) is (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide.
What is the SMILES notation for (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide?
The canonical SMILES for (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide is O=S1(=O)OC(F)C2(C(F)OS(=O)(=O)[C@@H]2F)C1F.
What is the InChIKey of (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide?
The InChIKey is HGNZJEJMPDGDCO-BQKPUXPDSA-N. The full InChI is InChI=1S/C5H4F4O6S2/c6-1-5(3(8)16(10,11)14-1)2(7)15-17(12,13)4(5)9/h1-4H/t1?,2?,3-,4?,5?/m0/s1.
What are the key properties of (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide?
(4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide has a molecular weight of 300.21 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,4,6,9-tetrafluoro-2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide is sourced from PubChem (CID 130351250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).