[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite

C10H16FO7S- — CID 89451373

IUPAC[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite
SMILESCOC(=O)C(C)(F)[C@H](OS(=O)[O-])C1COC(C)(C)O1
InChIInChI=1S/C10H17FO7S/c1-9(2)16-5-6(17-9)7(18-19(13)14)10(3,11)8(12)15-4/h6-7H,5H2,1-4H3,(H,13,14)/p-1/t6?,7-,10?/m1/s1
InChIKeyHEPKQEXJETXNBO-PRZNWYJVSA-M
MW299.30 g/mol
LogP0.22
Rot. Bonds5

About [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite

[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite (PubChem CID 89451373) has the molecular formula C10H16FO7S- and a molecular weight of 299.30 g/mol. Its IUPAC name is [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite.

Molecular Properties

Compound Name[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite
PubChem CID89451373
Molecular FormulaC10H16FO7S-
Molecular Weight299.30 g/mol
Exact Mass299.06
IUPAC Name[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite
SMILESCOC(=O)C(C)(F)[C@H](OS(=O)[O-])C1COC(C)(C)O1
InChIInChI=1S/C10H17FO7S/c1-9(2)16-5-6(17-9)7(18-19(13)14)10(3,11)8(12)15-4/h6-7H,5H2,1-4H3,(H,13,14)/p-1/t6?,7-,10?/m1/s1
InChIKeyHEPKQEXJETXNBO-PRZNWYJVSA-M
XLogP0.22
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 42625044
(2R,3R)-3-((4R)-2,2-Dimethyldioxolan-4-yl)-2-methyl-2-fluoro-3-[(sulfo)oxy]propanoic Acid Ethyl Ester
CID 59227130
(4S,5R)-ethyl 5-((R)-2,2-diMethyl-1,3-dioxolan-4-yl)-4-Methyl-1,3,2-dioxathiolane-4-carboxylate 2,2-dioxide
CID 59227127
(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyloxetan-2-one
CID 396106
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3-methyl-oxetan-2-one
CID 496878
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoate
CID 42625046
(3R,4R)-3-fluoro-4-(methoxymethoxy)-5-(methoxymethoxymethyl)-3-methyloxolan-2-one
CID 57887619
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 57887637
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxopropanoate
CID 57887658
ethyl (3S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 57887659
[(1R,2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate
CID 59227129
[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-fluoro-2-methyl-3-oxopropyl] sulfate
CID 59227132

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite?
The IUPAC name of [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite (CID 89451373) is [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite.
What is the SMILES notation for [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite?
The canonical SMILES for [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite is COC(=O)C(C)(F)[C@H](OS(=O)[O-])C1COC(C)(C)O1.
What is the InChIKey of [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite?
The InChIKey is HEPKQEXJETXNBO-PRZNWYJVSA-M. The full InChI is InChI=1S/C10H17FO7S/c1-9(2)16-5-6(17-9)7(18-19(13)14)10(3,11)8(12)15-4/h6-7H,5H2,1-4H3,(H,13,14)/p-1/t6?,7-,10?/m1/s1.
What are the key properties of [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite?
[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite has a molecular weight of 299.30 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-methoxy-2-methyl-3-oxopropyl] sulfite is sourced from PubChem (CID 89451373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).