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

C6H5F5O5 — CID 58330317

IUPAC2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
SMILESO=C(F)OCCOC1(F)OC(F)(F)OC1F
InChIInChI=1S/C6H5F5O5/c7-3-5(9,16-6(10,11)15-3)14-2-1-13-4(8)12/h3H,1-2H2
InChIKeyCUIRWPXWJUFMEP-UHFFFAOYSA-N
MW252.09 g/mol
LogP1.63
Rot. Bonds4

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

2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate (PubChem CID 58330317) has the molecular formula C6H5F5O5 and a molecular weight of 252.09 g/mol. Its IUPAC name is 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate.

Molecular Properties

Compound Name2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
PubChem CID58330317
Molecular FormulaC6H5F5O5
Molecular Weight252.09 g/mol
Exact Mass252.01
IUPAC Name2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
SMILESO=C(F)OCCOC1(F)OC(F)(F)OC1F
InChIInChI=1S/C6H5F5O5/c7-3-5(9,16-6(10,11)15-3)14-2-1-13-4(8)12/h3H,1-2H2
InChIKeyCUIRWPXWJUFMEP-UHFFFAOYSA-N
XLogP1.63
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 51.63
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'}

Analyze 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,2,2-Trifluoroethoxy)-1,3-dioxolan-2-one
CID 89936258
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxolan-2-one
CID 14149935
4-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one
CID 14149936
2-(Difluoromethyl)-2-fluoro-1,3-dioxolane
CID 18923914
2-Fluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 18923917
Ethyl [1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethyl] carbonate
CID 21799527
4-[(2,2,3,3-Tetrafluoropropoxy)methyl]-1,3-dioxolan-2-one
CID 57645378
2-[[4,5-Difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate
CID 58330318
3-[(2,2,4,5-Tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate
CID 58330322
3-[(2,2,4,5-Tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate
CID 58330328
2-[(2,2,4,5,5-Pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
CID 58330334
2-[[4,5,5-Trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolan-4-yl]oxy]ethyl carbonofluoridate
CID 58330337

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate?
The IUPAC name of 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate (CID 58330317) is 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate.
What is the SMILES notation for 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate?
The canonical SMILES for 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate is O=C(F)OCCOC1(F)OC(F)(F)OC1F.
What is the InChIKey of 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate?
The InChIKey is CUIRWPXWJUFMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O5/c7-3-5(9,16-6(10,11)15-3)14-2-1-13-4(8)12/h3H,1-2H2.
What are the key properties of 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate?
2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate has a molecular weight of 252.09 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate is sourced from PubChem (CID 58330317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).