fluoromethyl methyl carbonate

C3H5FO3 — CID 11622329

IUPACfluoromethyl methyl carbonate
SMILESCOC(=O)OCF
InChIInChI=1S/C3H5FO3/c1-6-3(5)7-2-4/h2H2,1H3
InChIKeyPIQRQRGUYXRTJJ-UHFFFAOYSA-N
MW108.07 g/mol
LogP0.70
Rot. Bonds1

About fluoromethyl methyl carbonate

fluoromethyl methyl carbonate (PubChem CID 11622329) has the molecular formula C3H5FO3 and a molecular weight of 108.07 g/mol. Its IUPAC name is fluoromethyl methyl carbonate.

Molecular Properties

Compound Namefluoromethyl methyl carbonate
PubChem CID11622329
Molecular FormulaC3H5FO3
Molecular Weight108.07 g/mol
Exact Mass108.02
IUPAC Namefluoromethyl methyl carbonate
SMILESCOC(=O)OCF
InChIInChI=1S/C3H5FO3/c1-6-3(5)7-2-4/h2H2,1H3
InChIKeyPIQRQRGUYXRTJJ-UHFFFAOYSA-N
XLogP0.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl methyl carbonate?
The IUPAC name of fluoromethyl methyl carbonate (CID 11622329) is fluoromethyl methyl carbonate.
What is the SMILES notation for fluoromethyl methyl carbonate?
The canonical SMILES for fluoromethyl methyl carbonate is COC(=O)OCF.
What is the InChIKey of fluoromethyl methyl carbonate?
The InChIKey is PIQRQRGUYXRTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3/c1-6-3(5)7-2-4/h2H2,1H3.
What are the key properties of fluoromethyl methyl carbonate?
fluoromethyl methyl carbonate has a molecular weight of 108.07 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl methyl carbonate is sourced from PubChem (CID 11622329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).