bis(3-fluoropentyl) carbonate

C11H20F2O3 — CID 87132285

IUPACbis(3-fluoropentyl) carbonate
SMILESCCC(F)CCOC(=O)OCCC(F)CC
InChIInChI=1S/C11H20F2O3/c1-3-9(12)5-7-15-11(14)16-8-6-10(13)4-2/h9-10H,3-8H2,1-2H3
InChIKeyPGRXBMLAHDIRNP-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.42
Rot. Bonds8

About bis(3-fluoropentyl) carbonate

bis(3-fluoropentyl) carbonate (PubChem CID 87132285) has the molecular formula C11H20F2O3 and a molecular weight of 238.27 g/mol. Its IUPAC name is bis(3-fluoropentyl) carbonate.

Molecular Properties

Compound Namebis(3-fluoropentyl) carbonate
PubChem CID87132285
Molecular FormulaC11H20F2O3
Molecular Weight238.27 g/mol
Exact Mass238.14
IUPAC Namebis(3-fluoropentyl) carbonate
SMILESCCC(F)CCOC(=O)OCCC(F)CC
InChIInChI=1S/C11H20F2O3/c1-3-9(12)5-7-15-11(14)16-8-6-10(13)4-2/h9-10H,3-8H2,1-2H3
InChIKeyPGRXBMLAHDIRNP-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of bis(3-fluoropentyl) carbonate?
The IUPAC name of bis(3-fluoropentyl) carbonate (CID 87132285) is bis(3-fluoropentyl) carbonate.
What is the SMILES notation for bis(3-fluoropentyl) carbonate?
The canonical SMILES for bis(3-fluoropentyl) carbonate is CCC(F)CCOC(=O)OCCC(F)CC.
What is the InChIKey of bis(3-fluoropentyl) carbonate?
The InChIKey is PGRXBMLAHDIRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O3/c1-3-9(12)5-7-15-11(14)16-8-6-10(13)4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of bis(3-fluoropentyl) carbonate?
bis(3-fluoropentyl) carbonate has a molecular weight of 238.27 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-fluoropentyl) carbonate is sourced from PubChem (CID 87132285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).