2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide

C7H12FO10PS2 — CID 167605600

IUPAC2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide
SMILESFP1OCCO1.O=S1(=O)OCC2(CO1)COS(=O)(=O)OC2
InChIInChI=1S/C5H8O8S2.C2H4FO2P/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5;3-6-4-1-2-5-6/h1-4H2;1-2H2
InChIKeyKIJLZQIRTUKPEA-UHFFFAOYSA-N
MW370.27 g/mol
LogP-0.21
Rot. Bonds

About 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide

2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide (PubChem CID 167605600) has the molecular formula C7H12FO10PS2 and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide.

Molecular Properties

Compound Name2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide
PubChem CID167605600
Molecular FormulaC7H12FO10PS2
Molecular Weight370.27 g/mol
Exact Mass369.96
IUPAC Name2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide
SMILESFP1OCCO1.O=S1(=O)OCC2(CO1)COS(=O)(=O)OC2
InChIInChI=1S/C5H8O8S2.C2H4FO2P/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5;3-6-4-1-2-5-6/h1-4H2;1-2H2
InChIKeyKIJLZQIRTUKPEA-UHFFFAOYSA-N
XLogP-0.21
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-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

1,3,2-dioxathiolane 2,2-dioxide;3-prop-2-enoxyprop-1-ene;hydrate
CID 174358407
5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
CID 153021979
7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
CID 166880650
1,3,2-dioxathiolane 2,2-dioxide;sulfuric acid
CID 172854846
3,9-bis(chloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 59016871
2,2,7,7-tetraoxo-1,3,6,8-tetraoxa-2λ6,7λ6-dithiaspiro[4.4]nonan-4-one
CID 137411723
3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
CID 158576549
7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide
CID 118609045
N-[ethoxy-[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)amino]phosphoryl]-5-methyl-2,2-dioxo-1,3,2-dioxathian-5-amine
CID 58463615
3-fluorooxathiepane 2,2-dioxide
CID 89251516
1,2,4,3-trioxathiane 3,3-dioxide;hydrate
CID 174833431
8-oxa-1λ6-thiaspiro[5.5]undecane 1,1-dioxide
CID 118609043

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide?
The IUPAC name of 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide (CID 167605600) is 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide.
What is the SMILES notation for 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide?
The canonical SMILES for 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide is FP1OCCO1.O=S1(=O)OCC2(CO1)COS(=O)(=O)OC2.
What is the InChIKey of 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide?
The InChIKey is KIJLZQIRTUKPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O8S2.C2H4FO2P/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5;3-6-4-1-2-5-6/h1-4H2;1-2H2.
What are the key properties of 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide?
2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide has a molecular weight of 370.27 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3,2-dioxaphospholane;2,4,8,10-tetraoxa-3λ6,9λ6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide is sourced from PubChem (CID 167605600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).