bis(1-fluoro-2-methylpropan-2-yl) carbonate

C9H16F2O3 — CID 87147063

IUPACbis(1-fluoro-2-methylpropan-2-yl) carbonate
SMILESCC(C)(CF)OC(=O)OC(C)(C)CF
InChIInChI=1S/C9H16F2O3/c1-8(2,5-10)13-7(12)14-9(3,4)6-11/h5-6H2,1-4H3
InChIKeyRMEHZOIDAWJTFS-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.64
Rot. Bonds4

About bis(1-fluoro-2-methylpropan-2-yl) carbonate

bis(1-fluoro-2-methylpropan-2-yl) carbonate (PubChem CID 87147063) has the molecular formula C9H16F2O3 and a molecular weight of 210.22 g/mol. Its IUPAC name is bis(1-fluoro-2-methylpropan-2-yl) carbonate.

Molecular Properties

Compound Namebis(1-fluoro-2-methylpropan-2-yl) carbonate
PubChem CID87147063
Molecular FormulaC9H16F2O3
Molecular Weight210.22 g/mol
Exact Mass210.11
IUPAC Namebis(1-fluoro-2-methylpropan-2-yl) carbonate
SMILESCC(C)(CF)OC(=O)OC(C)(C)CF
InChIInChI=1S/C9H16F2O3/c1-8(2,5-10)13-7(12)14-9(3,4)6-11/h5-6H2,1-4H3
InChIKeyRMEHZOIDAWJTFS-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1-fluoro-2-methylpropan-2-yl) carbonate?
The IUPAC name of bis(1-fluoro-2-methylpropan-2-yl) carbonate (CID 87147063) is bis(1-fluoro-2-methylpropan-2-yl) carbonate.
What is the SMILES notation for bis(1-fluoro-2-methylpropan-2-yl) carbonate?
The canonical SMILES for bis(1-fluoro-2-methylpropan-2-yl) carbonate is CC(C)(CF)OC(=O)OC(C)(C)CF.
What is the InChIKey of bis(1-fluoro-2-methylpropan-2-yl) carbonate?
The InChIKey is RMEHZOIDAWJTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O3/c1-8(2,5-10)13-7(12)14-9(3,4)6-11/h5-6H2,1-4H3.
What are the key properties of bis(1-fluoro-2-methylpropan-2-yl) carbonate?
bis(1-fluoro-2-methylpropan-2-yl) carbonate has a molecular weight of 210.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-fluoro-2-methylpropan-2-yl) carbonate is sourced from PubChem (CID 87147063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).