bis(5,5-difluoropentyl) carbonate

C11H18F4O3 — CID 87132091

IUPACbis(5,5-difluoropentyl) carbonate
SMILESO=C(OCCCCC(F)F)OCCCCC(F)F
InChIInChI=1S/C11H18F4O3/c12-9(13)5-1-3-7-17-11(16)18-8-4-2-6-10(14)15/h9-10H,1-8H2
InChIKeyUEKVRNJNRAKWIU-UHFFFAOYSA-N
MW274.25 g/mol
LogP4.01
Rot. Bonds10

About bis(5,5-difluoropentyl) carbonate

bis(5,5-difluoropentyl) carbonate (PubChem CID 87132091) has the molecular formula C11H18F4O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is bis(5,5-difluoropentyl) carbonate.

Molecular Properties

Compound Namebis(5,5-difluoropentyl) carbonate
PubChem CID87132091
Molecular FormulaC11H18F4O3
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Namebis(5,5-difluoropentyl) carbonate
SMILESO=C(OCCCCC(F)F)OCCCCC(F)F
InChIInChI=1S/C11H18F4O3/c12-9(13)5-1-3-7-17-11(16)18-8-4-2-6-10(14)15/h9-10H,1-8H2
InChIKeyUEKVRNJNRAKWIU-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(5,5-difluoropentyl) carbonate?
The IUPAC name of bis(5,5-difluoropentyl) carbonate (CID 87132091) is bis(5,5-difluoropentyl) carbonate.
What is the SMILES notation for bis(5,5-difluoropentyl) carbonate?
The canonical SMILES for bis(5,5-difluoropentyl) carbonate is O=C(OCCCCC(F)F)OCCCCC(F)F.
What is the InChIKey of bis(5,5-difluoropentyl) carbonate?
The InChIKey is UEKVRNJNRAKWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4O3/c12-9(13)5-1-3-7-17-11(16)18-8-4-2-6-10(14)15/h9-10H,1-8H2.
What are the key properties of bis(5,5-difluoropentyl) carbonate?
bis(5,5-difluoropentyl) carbonate has a molecular weight of 274.25 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,5-difluoropentyl) carbonate is sourced from PubChem (CID 87132091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).