4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide

C6H10FO7PS — CID 172548162

IUPAC4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
SMILESO=P1(OC2COS(=O)(=O)C2)OCCC(F)O1
InChIInChI=1S/C6H10FO7PS/c7-6-1-2-11-15(8,14-6)13-5-3-12-16(9,10)4-5/h5-6H,1-4H2
InChIKeyGXZYKDQWJSZAMH-UHFFFAOYSA-N
MW276.18 g/mol
LogP0.57
Rot. Bonds2

About 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide

4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide (PubChem CID 172548162) has the molecular formula C6H10FO7PS and a molecular weight of 276.18 g/mol. Its IUPAC name is 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
PubChem CID172548162
Molecular FormulaC6H10FO7PS
Molecular Weight276.18 g/mol
Exact Mass275.99
IUPAC Name4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
SMILESO=P1(OC2COS(=O)(=O)C2)OCCC(F)O1
InChIInChI=1S/C6H10FO7PS/c7-6-1-2-11-15(8,14-6)13-5-3-12-16(9,10)4-5/h5-6H,1-4H2
InChIKeyGXZYKDQWJSZAMH-UHFFFAOYSA-N
XLogP0.57
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The IUPAC name of 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide (CID 172548162) is 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide.
What is the SMILES notation for 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The canonical SMILES for 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide is O=P1(OC2COS(=O)(=O)C2)OCCC(F)O1.
What is the InChIKey of 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
The InChIKey is GXZYKDQWJSZAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FO7PS/c7-6-1-2-11-15(8,14-6)13-5-3-12-16(9,10)4-5/h5-6H,1-4H2.
What are the key properties of 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide?
4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide has a molecular weight of 276.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide is sourced from PubChem (CID 172548162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).