bis(trifluoromethyl) carbonate

C3F6O3 — CID 21263525

IUPACbis(trifluoromethyl) carbonate
SMILESO=C(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C3F6O3/c4-2(5,6)11-1(10)12-3(7,8)9
InChIKeyLVYPNDZTRXRBNM-UHFFFAOYSA-N
MW198.02 g/mol
LogP2.18
Rot. Bonds

About bis(trifluoromethyl) carbonate

bis(trifluoromethyl) carbonate (PubChem CID 21263525) has the molecular formula C3F6O3 and a molecular weight of 198.02 g/mol. Its IUPAC name is bis(trifluoromethyl) carbonate.

Molecular Properties

Compound Namebis(trifluoromethyl) carbonate
PubChem CID21263525
Molecular FormulaC3F6O3
Molecular Weight198.02 g/mol
Exact Mass197.98
IUPAC Namebis(trifluoromethyl) carbonate
SMILESO=C(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C3F6O3/c4-2(5,6)11-1(10)12-3(7,8)9
InChIKeyLVYPNDZTRXRBNM-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethyl) carbonate?
The IUPAC name of bis(trifluoromethyl) carbonate (CID 21263525) is bis(trifluoromethyl) carbonate.
What is the SMILES notation for bis(trifluoromethyl) carbonate?
The canonical SMILES for bis(trifluoromethyl) carbonate is O=C(OC(F)(F)F)OC(F)(F)F.
What is the InChIKey of bis(trifluoromethyl) carbonate?
The InChIKey is LVYPNDZTRXRBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O3/c4-2(5,6)11-1(10)12-3(7,8)9.
What are the key properties of bis(trifluoromethyl) carbonate?
bis(trifluoromethyl) carbonate has a molecular weight of 198.02 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethyl) carbonate is sourced from PubChem (CID 21263525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).