bis(5-fluoropentyl) carbonate

C11H20F2O3 — CID 87131936

IUPACbis(5-fluoropentyl) carbonate
SMILESO=C(OCCCCCF)OCCCCCF
InChIInChI=1S/C11H20F2O3/c12-7-3-1-5-9-15-11(14)16-10-6-2-4-8-13/h1-10H2
InChIKeyQWPBGGKTROOVNS-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.42
Rot. Bonds10

About bis(5-fluoropentyl) carbonate

bis(5-fluoropentyl) carbonate (PubChem CID 87131936) has the molecular formula C11H20F2O3 and a molecular weight of 238.27 g/mol. Its IUPAC name is bis(5-fluoropentyl) carbonate.

Molecular Properties

Compound Namebis(5-fluoropentyl) carbonate
PubChem CID87131936
Molecular FormulaC11H20F2O3
Molecular Weight238.27 g/mol
Exact Mass238.14
IUPAC Namebis(5-fluoropentyl) carbonate
SMILESO=C(OCCCCCF)OCCCCCF
InChIInChI=1S/C11H20F2O3/c12-7-3-1-5-9-15-11(14)16-10-6-2-4-8-13/h1-10H2
InChIKeyQWPBGGKTROOVNS-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.42
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-fluoropentyl) carbonate?
The IUPAC name of bis(5-fluoropentyl) carbonate (CID 87131936) is bis(5-fluoropentyl) carbonate.
What is the SMILES notation for bis(5-fluoropentyl) carbonate?
The canonical SMILES for bis(5-fluoropentyl) carbonate is O=C(OCCCCCF)OCCCCCF.
What is the InChIKey of bis(5-fluoropentyl) carbonate?
The InChIKey is QWPBGGKTROOVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O3/c12-7-3-1-5-9-15-11(14)16-10-6-2-4-8-13/h1-10H2.
What are the key properties of bis(5-fluoropentyl) carbonate?
bis(5-fluoropentyl) carbonate has a molecular weight of 238.27 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-fluoropentyl) carbonate is sourced from PubChem (CID 87131936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).