methyl trifluoromethyl carbonate

C3H3F3O3 — CID 18179982

IUPACmethyl trifluoromethyl carbonate
SMILESCOC(=O)OC(F)(F)F
InChIInChI=1S/C3H3F3O3/c1-8-2(7)9-3(4,5)6/h1H3
InChIKeyYSYBYIDPNZPQLJ-UHFFFAOYSA-N
MW144.05 g/mol
LogP1.29
Rot. Bonds

About methyl trifluoromethyl carbonate

methyl trifluoromethyl carbonate (PubChem CID 18179982) has the molecular formula C3H3F3O3 and a molecular weight of 144.05 g/mol. Its IUPAC name is methyl trifluoromethyl carbonate.

Molecular Properties

Compound Namemethyl trifluoromethyl carbonate
PubChem CID18179982
Molecular FormulaC3H3F3O3
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Namemethyl trifluoromethyl carbonate
SMILESCOC(=O)OC(F)(F)F
InChIInChI=1S/C3H3F3O3/c1-8-2(7)9-3(4,5)6/h1H3
InChIKeyYSYBYIDPNZPQLJ-UHFFFAOYSA-N
XLogP1.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fluoromethyl trifluoromethyl carbonate
CID 20871002
Difluoromethyl methyl carbonate
CID 58421229
Bis(difluoromethyl) carbonate
CID 87079886
Carbonic acid difluoromethylfluoromethyl ester
CID 87314252
Difluoromethyl trifluoromethyl carbonate
CID 87314296
[Difluoro(fluoromethoxy)methyl] methyl carbonate
CID 118390526
Difluoromethyl fluoro carbonate
CID 175146613

Frequently Asked Questions

What is the IUPAC name of methyl trifluoromethyl carbonate?
The IUPAC name of methyl trifluoromethyl carbonate (CID 18179982) is methyl trifluoromethyl carbonate.
What is the SMILES notation for methyl trifluoromethyl carbonate?
The canonical SMILES for methyl trifluoromethyl carbonate is COC(=O)OC(F)(F)F.
What is the InChIKey of methyl trifluoromethyl carbonate?
The InChIKey is YSYBYIDPNZPQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O3/c1-8-2(7)9-3(4,5)6/h1H3.
What are the key properties of methyl trifluoromethyl carbonate?
methyl trifluoromethyl carbonate has a molecular weight of 144.05 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl trifluoromethyl carbonate is sourced from PubChem (CID 18179982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).