methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate

C10H16FO7- — CID 140635530

IUPACmethyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate
SMILESCOC(=O)[C@](C)(F)[C@H](OO[O-])C1COC(C)(C)O1
InChIInChI=1S/C10H17FO7/c1-9(2)15-5-6(16-9)7(17-18-13)10(3,11)8(12)14-4/h6-7,13H,5H2,1-4H3/p-1/t6?,7-,10-/m1/s1
InChIKeySZKBAZMYHBRSAP-PZUJBFCGSA-M
MW267.23 g/mol
LogP-0.37
Rot. Bonds5

About methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate

methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate (PubChem CID 140635530) has the molecular formula C10H16FO7- and a molecular weight of 267.23 g/mol. Its IUPAC name is methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate
PubChem CID140635530
Molecular FormulaC10H16FO7-
Molecular Weight267.23 g/mol
Exact Mass267.09
IUPAC Namemethyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate
SMILESCOC(=O)[C@](C)(F)[C@H](OO[O-])C1COC(C)(C)O1
InChIInChI=1S/C10H17FO7/c1-9(2)15-5-6(16-9)7(17-18-13)10(3,11)8(12)14-4/h6-7,13H,5H2,1-4H3/p-1/t6?,7-,10-/m1/s1
InChIKeySZKBAZMYHBRSAP-PZUJBFCGSA-M
XLogP-0.37
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate?
The IUPAC name of methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate (CID 140635530) is methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate.
What is the SMILES notation for methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate?
The canonical SMILES for methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate is COC(=O)[C@](C)(F)[C@H](OO[O-])C1COC(C)(C)O1.
What is the InChIKey of methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate?
The InChIKey is SZKBAZMYHBRSAP-PZUJBFCGSA-M. The full InChI is InChI=1S/C10H17FO7/c1-9(2)15-5-6(16-9)7(17-18-13)10(3,11)8(12)14-4/h6-7,13H,5H2,1-4H3/p-1/t6?,7-,10-/m1/s1.
What are the key properties of methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate?
methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate has a molecular weight of 267.23 g/mol, XLogP of -0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methyl-3-oxidoperoxypropanoate is sourced from PubChem (CID 140635530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).