bis(1,1,2,2,3-pentafluoropropyl) carbonate

C7H4F10O3 — CID 54324348

IUPACbis(1,1,2,2,3-pentafluoropropyl) carbonate
SMILESO=C(OC(F)(F)C(F)(F)CF)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C7H4F10O3/c8-1-4(10,11)6(14,15)19-3(18)20-7(16,17)5(12,13)2-9/h1-2H2
InChIKeySTVUZCGNBVOPTA-UHFFFAOYSA-N
MW326.09 g/mol
LogP3.53
Rot. Bonds6

About bis(1,1,2,2,3-pentafluoropropyl) carbonate

bis(1,1,2,2,3-pentafluoropropyl) carbonate (PubChem CID 54324348) has the molecular formula C7H4F10O3 and a molecular weight of 326.09 g/mol. Its IUPAC name is bis(1,1,2,2,3-pentafluoropropyl) carbonate.

Molecular Properties

Compound Namebis(1,1,2,2,3-pentafluoropropyl) carbonate
PubChem CID54324348
Molecular FormulaC7H4F10O3
Molecular Weight326.09 g/mol
Exact Mass326.00
IUPAC Namebis(1,1,2,2,3-pentafluoropropyl) carbonate
SMILESO=C(OC(F)(F)C(F)(F)CF)OC(F)(F)C(F)(F)CF
InChIInChI=1S/C7H4F10O3/c8-1-4(10,11)6(14,15)19-3(18)20-7(16,17)5(12,13)2-9/h1-2H2
InChIKeySTVUZCGNBVOPTA-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.09
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,3-pentafluoropropyl) carbonate?
The IUPAC name of bis(1,1,2,2,3-pentafluoropropyl) carbonate (CID 54324348) is bis(1,1,2,2,3-pentafluoropropyl) carbonate.
What is the SMILES notation for bis(1,1,2,2,3-pentafluoropropyl) carbonate?
The canonical SMILES for bis(1,1,2,2,3-pentafluoropropyl) carbonate is O=C(OC(F)(F)C(F)(F)CF)OC(F)(F)C(F)(F)CF.
What is the InChIKey of bis(1,1,2,2,3-pentafluoropropyl) carbonate?
The InChIKey is STVUZCGNBVOPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F10O3/c8-1-4(10,11)6(14,15)19-3(18)20-7(16,17)5(12,13)2-9/h1-2H2.
What are the key properties of bis(1,1,2,2,3-pentafluoropropyl) carbonate?
bis(1,1,2,2,3-pentafluoropropyl) carbonate has a molecular weight of 326.09 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3-pentafluoropropyl) carbonate is sourced from PubChem (CID 54324348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).