bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate

C10H5F15O6 — CID 161279187

IUPACbis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate
SMILESCCOC(=O)OC(F)(F)C(F)(F)F.O=C(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O3.C5H5F5O3/c6-2(7,8)4(12,13)17-1(16)18-5(14,15)3(9,10)11;1-2-12-3(11)13-5(9,10)4(6,7)8/h;2H2,1H3
InChIKeyVEVSCIMBDURWLK-UHFFFAOYSA-N
MW506.11 g/mol
LogP5.76
Rot. Bonds4

About bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate

bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate (PubChem CID 161279187) has the molecular formula C10H5F15O6 and a molecular weight of 506.11 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate
PubChem CID161279187
Molecular FormulaC10H5F15O6
Molecular Weight506.11 g/mol
Exact Mass505.98
IUPAC Namebis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate
SMILESCCOC(=O)OC(F)(F)C(F)(F)F.O=C(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O3.C5H5F5O3/c6-2(7,8)4(12,13)17-1(16)18-5(14,15)3(9,10)11;1-2-12-3(11)13-5(9,10)4(6,7)8/h;2H2,1H3
InChIKeyVEVSCIMBDURWLK-UHFFFAOYSA-N
XLogP5.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.11
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 175796855
CID 175796855
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[(E)-2-carboxyoxyethenyl] hydrogen carbonate;1,1-difluoroethyl ethyl carbonate
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ethyl fluoro carbonate
CID 18542699
ethyl 3,3,3-trifluoropropyl carbonate
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acetylene;diethyl carbonate
CID 87073597
magnesium;diethyl carbonate;hydride
CID 173249173
ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
CID 10846253
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
1,1,2,2,2-pentafluoroethoxycarbonyl formate
CID 174676500
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate (CID 161279187) is bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate is CCOC(=O)OC(F)(F)C(F)(F)F.O=C(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate?
The InChIKey is VEVSCIMBDURWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O3.C5H5F5O3/c6-2(7,8)4(12,13)17-1(16)18-5(14,15)3(9,10)11;1-2-12-3(11)13-5(9,10)4(6,7)8/h;2H2,1H3.
What are the key properties of bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate?
bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate has a molecular weight of 506.11 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate is sourced from PubChem (CID 161279187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).