bis(5,5-difluoropentan-2-yl) carbonate

C11H18F4O3 — CID 87132089

IUPACbis(5,5-difluoropentan-2-yl) carbonate
SMILESCC(CCC(F)F)OC(=O)OC(C)CCC(F)F
InChIInChI=1S/C11H18F4O3/c1-7(3-5-9(12)13)17-11(16)18-8(2)4-6-10(14)15/h7-10H,3-6H2,1-2H3
InChIKeyJJMJSMHWKFWCEI-UHFFFAOYSA-N
MW274.25 g/mol
LogP4.01
Rot. Bonds8

About bis(5,5-difluoropentan-2-yl) carbonate

bis(5,5-difluoropentan-2-yl) carbonate (PubChem CID 87132089) has the molecular formula C11H18F4O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is bis(5,5-difluoropentan-2-yl) carbonate.

Molecular Properties

Compound Namebis(5,5-difluoropentan-2-yl) carbonate
PubChem CID87132089
Molecular FormulaC11H18F4O3
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Namebis(5,5-difluoropentan-2-yl) carbonate
SMILESCC(CCC(F)F)OC(=O)OC(C)CCC(F)F
InChIInChI=1S/C11H18F4O3/c1-7(3-5-9(12)13)17-11(16)18-8(2)4-6-10(14)15/h7-10H,3-6H2,1-2H3
InChIKeyJJMJSMHWKFWCEI-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of bis(5,5-difluoropentan-2-yl) carbonate?
The IUPAC name of bis(5,5-difluoropentan-2-yl) carbonate (CID 87132089) is bis(5,5-difluoropentan-2-yl) carbonate.
What is the SMILES notation for bis(5,5-difluoropentan-2-yl) carbonate?
The canonical SMILES for bis(5,5-difluoropentan-2-yl) carbonate is CC(CCC(F)F)OC(=O)OC(C)CCC(F)F.
What is the InChIKey of bis(5,5-difluoropentan-2-yl) carbonate?
The InChIKey is JJMJSMHWKFWCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4O3/c1-7(3-5-9(12)13)17-11(16)18-8(2)4-6-10(14)15/h7-10H,3-6H2,1-2H3.
What are the key properties of bis(5,5-difluoropentan-2-yl) carbonate?
bis(5,5-difluoropentan-2-yl) carbonate has a molecular weight of 274.25 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,5-difluoropentan-2-yl) carbonate is sourced from PubChem (CID 87132089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).