trifluoromethyl carbonate

C2F3O3- — CID 3512265

IUPACtrifluoromethyl carbonate
SMILESO=C([O-])OC(F)(F)F
InChIInChI=1S/C2HF3O3/c3-2(4,5)8-1(6)7/h(H,6,7)/p-1
InChIKeyQSPSCCUUGYIQCI-UHFFFAOYSA-M
MW129.01 g/mol
LogP-0.13
Rot. Bonds

About trifluoromethyl carbonate

trifluoromethyl carbonate (PubChem CID 3512265) has the molecular formula C2F3O3- and a molecular weight of 129.01 g/mol. Its IUPAC name is trifluoromethyl carbonate.

Molecular Properties

Compound Nametrifluoromethyl carbonate
PubChem CID3512265
Molecular FormulaC2F3O3-
Molecular Weight129.01 g/mol
Exact Mass128.98
IUPAC Nametrifluoromethyl carbonate
SMILESO=C([O-])OC(F)(F)F
InChIInChI=1S/C2HF3O3/c3-2(4,5)8-1(6)7/h(H,6,7)/p-1
InChIKeyQSPSCCUUGYIQCI-UHFFFAOYSA-M
XLogP-0.13
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.01
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl carbonate?
The IUPAC name of trifluoromethyl carbonate (CID 3512265) is trifluoromethyl carbonate.
What is the SMILES notation for trifluoromethyl carbonate?
The canonical SMILES for trifluoromethyl carbonate is O=C([O-])OC(F)(F)F.
What is the InChIKey of trifluoromethyl carbonate?
The InChIKey is QSPSCCUUGYIQCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O3/c3-2(4,5)8-1(6)7/h(H,6,7)/p-1.
What are the key properties of trifluoromethyl carbonate?
trifluoromethyl carbonate has a molecular weight of 129.01 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl carbonate is sourced from PubChem (CID 3512265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).