2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate

C8H8F6O5 — CID 58330318

IUPAC2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate
SMILESCC1(C(F)(F)F)OC(F)C(F)(OCCOC(=O)F)O1
InChIInChI=1S/C8H8F6O5/c1-6(8(12,13)14)18-4(9)7(11,19-6)17-3-2-16-5(10)15/h4H,2-3H2,1H3
InChIKeyXWPIYYLPZMDWPA-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.35
Rot. Bonds4

About 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate

2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate (PubChem CID 58330318) has the molecular formula C8H8F6O5 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate.

Molecular Properties

Compound Name2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate
PubChem CID58330318
Molecular FormulaC8H8F6O5
Molecular Weight298.14 g/mol
Exact Mass298.03
IUPAC Name2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate
SMILESCC1(C(F)(F)F)OC(F)C(F)(OCCOC(=O)F)O1
InChIInChI=1S/C8H8F6O5/c1-6(8(12,13)14)18-4(9)7(11,19-6)17-3-2-16-5(10)15/h4H,2-3H2,1H3
InChIKeyXWPIYYLPZMDWPA-UHFFFAOYSA-N
XLogP2.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate?
The IUPAC name of 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate (CID 58330318) is 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate.
What is the SMILES notation for 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate?
The canonical SMILES for 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate is CC1(C(F)(F)F)OC(F)C(F)(OCCOC(=O)F)O1.
What is the InChIKey of 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate?
The InChIKey is XWPIYYLPZMDWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O5/c1-6(8(12,13)14)18-4(9)7(11,19-6)17-3-2-16-5(10)15/h4H,2-3H2,1H3.
What are the key properties of 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate?
2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate has a molecular weight of 298.14 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate is sourced from PubChem (CID 58330318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).