[2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate

C8H7F9O4 — CID 122458002

IUPAC[2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate
SMILESCOC(=O)OCC(F)(CF)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F9O4/c1-19-4(18)20-3-5(10,2-9)21-8(16,17)6(11,12)7(13,14)15/h2-3H2,1H3
InChIKeyLFRBHQYMHSGPJI-UHFFFAOYSA-N
MW338.12 g/mol
LogP3.21
Rot. Bonds6

About [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate

[2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate (PubChem CID 122458002) has the molecular formula C8H7F9O4 and a molecular weight of 338.12 g/mol. Its IUPAC name is [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate.

Molecular Properties

Compound Name[2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate
PubChem CID122458002
Molecular FormulaC8H7F9O4
Molecular Weight338.12 g/mol
Exact Mass338.02
IUPAC Name[2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate
SMILESCOC(=O)OCC(F)(CF)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F9O4/c1-19-4(18)20-3-5(10,2-9)21-8(16,17)6(11,12)7(13,14)15/h2-3H2,1H3
InChIKeyLFRBHQYMHSGPJI-UHFFFAOYSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,2-difluoro-2-[1,1,2,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl] methyl carbonate
CID 122456553
[2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl] methyl carbonate
CID 122459246
(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-methoxycarbonyloxyoctyl) methyl carbonate
CID 122607499
1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
CID 23432502
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate
CID 122438608
methyl [2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propyl] carbonate
CID 122450404
[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate
CID 118490954
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
CID 162854102
(2S,6R)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)heptane-3,5-dione
CID 99650140
(2-amino-2-methylbutyl) methyl carbonate
CID 79336943
2,2,2-trifluoroethyl (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 162982682
methyl 3,3,4,4,4-pentafluorobutyl carbonate
CID 154933839

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate?
The IUPAC name of [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate (CID 122458002) is [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate.
What is the SMILES notation for [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate?
The canonical SMILES for [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate is COC(=O)OCC(F)(CF)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate?
The InChIKey is LFRBHQYMHSGPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O4/c1-19-4(18)20-3-5(10,2-9)21-8(16,17)6(11,12)7(13,14)15/h2-3H2,1H3.
What are the key properties of [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate?
[2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate has a molecular weight of 338.12 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate is sourced from PubChem (CID 122458002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).