methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate

C9H10F4O6 — CID 14401461

IUPACmethyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)C1(C(F)(F)C(=O)OC)OCCO1
InChIInChI=1S/C9H10F4O6/c1-16-5(14)7(10,11)9(18-3-4-19-9)8(12,13)6(15)17-2/h3-4H2,1-2H3
InChIKeyADYOSZXCWUHGOA-UHFFFAOYSA-N
MW290.17 g/mol
LogP0.35
Rot. Bonds4

About methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate

methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate (PubChem CID 14401461) has the molecular formula C9H10F4O6 and a molecular weight of 290.17 g/mol. Its IUPAC name is methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate
PubChem CID14401461
Molecular FormulaC9H10F4O6
Molecular Weight290.17 g/mol
Exact Mass290.04
IUPAC Namemethyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)C1(C(F)(F)C(=O)OC)OCCO1
InChIInChI=1S/C9H10F4O6/c1-16-5(14)7(10,11)9(18-3-4-19-9)8(12,13)6(15)17-2/h3-4H2,1-2H3
InChIKeyADYOSZXCWUHGOA-UHFFFAOYSA-N
XLogP0.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate with MolForge

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Related Compounds

Dimethyl 2,2'-(1,3-dioxolane-2,2-diyl)diacetate
CID 228900
1,3-Dioxolane-2,2-diacetic acid, diethyl ester
CID 274348
[(2R)-3-acetyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl acetate
CID 68018039
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-pentoxypropanoate
CID 69136594
2-(2-Ethyl-[1,3]dioxolan-2-yl)fluoroacetic acid methyl ester
CID 86637054
Ethyl 3-acetyloxy-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoropropanoate
CID 140129902
[(2R,3R)-3-acetyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl acetate
CID 140141214
[2,2-Dimethyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxolan-4-yl]methyl 2,2-difluoropropanoate
CID 161839311
methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxo(113C)ethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate
CID 18647337

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate?
The IUPAC name of methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate (CID 14401461) is methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate?
The canonical SMILES for methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate is COC(=O)C(F)(F)C1(C(F)(F)C(=O)OC)OCCO1.
What is the InChIKey of methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate?
The InChIKey is ADYOSZXCWUHGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O6/c1-16-5(14)7(10,11)9(18-3-4-19-9)8(12,13)6(15)17-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate?
methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate has a molecular weight of 290.17 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]-2,2-difluoroacetate is sourced from PubChem (CID 14401461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).