(2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

C4H8FO2PS — CID 23416230

IUPAC(2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESC[C@H]1CCO[P@@](F)(=S)O1
InChIInChI=1S/C4H8FO2PS/c1-4-2-3-6-8(5,9)7-4/h4H,2-3H2,1H3/t4-,8+/m0/s1
InChIKeyRDHRAKPIXUCISG-RNHFCUEFSA-N
MW170.14 g/mol
LogP2.01
Rot. Bonds

About (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

(2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 23416230) has the molecular formula C4H8FO2PS and a molecular weight of 170.14 g/mol. Its IUPAC name is (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name(2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID23416230
Molecular FormulaC4H8FO2PS
Molecular Weight170.14 g/mol
Exact Mass170.00
IUPAC Name(2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESC[C@H]1CCO[P@@](F)(=S)O1
InChIInChI=1S/C4H8FO2PS/c1-4-2-3-6-8(5,9)7-4/h4H,2-3H2,1H3/t4-,8+/m0/s1
InChIKeyRDHRAKPIXUCISG-RNHFCUEFSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (CID 23416230) is (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is C[C@H]1CCO[P@@](F)(=S)O1.
What is the InChIKey of (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is RDHRAKPIXUCISG-RNHFCUEFSA-N. The full InChI is InChI=1S/C4H8FO2PS/c1-4-2-3-6-8(5,9)7-4/h4H,2-3H2,1H3/t4-,8+/m0/s1.
What are the key properties of (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
(2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 170.14 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-fluoro-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 23416230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).