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

C7H2F12O3 — CID 21263426

IUPACbis(1,1,2,2,3,3-hexafluoropropyl) carbonate
SMILESO=C(OC(F)(F)C(F)(F)C(F)F)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H2F12O3/c8-1(9)4(12,13)6(16,17)21-3(20)22-7(18,19)5(14,15)2(10)11/h1-2H
InChIKeyUDLXFGVMJMKJSX-UHFFFAOYSA-N
MW362.07 g/mol
LogP4.13
Rot. Bonds6

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

bis(1,1,2,2,3,3-hexafluoropropyl) carbonate (PubChem CID 21263426) has the molecular formula C7H2F12O3 and a molecular weight of 362.07 g/mol. Its IUPAC name is bis(1,1,2,2,3,3-hexafluoropropyl) carbonate.

Molecular Properties

Compound Namebis(1,1,2,2,3,3-hexafluoropropyl) carbonate
PubChem CID21263426
Molecular FormulaC7H2F12O3
Molecular Weight362.07 g/mol
Exact Mass361.98
IUPAC Namebis(1,1,2,2,3,3-hexafluoropropyl) carbonate
SMILESO=C(OC(F)(F)C(F)(F)C(F)F)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H2F12O3/c8-1(9)4(12,13)6(16,17)21-3(20)22-7(18,19)5(14,15)2(10)11/h1-2H
InChIKeyUDLXFGVMJMKJSX-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 54.13
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(1,1,2,2,3,3-hexafluoropropyl) carbonate?
The IUPAC name of bis(1,1,2,2,3,3-hexafluoropropyl) carbonate (CID 21263426) is bis(1,1,2,2,3,3-hexafluoropropyl) carbonate.
What is the SMILES notation for bis(1,1,2,2,3,3-hexafluoropropyl) carbonate?
The canonical SMILES for bis(1,1,2,2,3,3-hexafluoropropyl) carbonate is O=C(OC(F)(F)C(F)(F)C(F)F)OC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of bis(1,1,2,2,3,3-hexafluoropropyl) carbonate?
The InChIKey is UDLXFGVMJMKJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12O3/c8-1(9)4(12,13)6(16,17)21-3(20)22-7(18,19)5(14,15)2(10)11/h1-2H.
What are the key properties of bis(1,1,2,2,3,3-hexafluoropropyl) carbonate?
bis(1,1,2,2,3,3-hexafluoropropyl) carbonate has a molecular weight of 362.07 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3,3-hexafluoropropyl) carbonate is sourced from PubChem (CID 21263426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).