difluoromethyl methyl carbonate

C3H4F2O3 — CID 58421229

IUPACdifluoromethyl methyl carbonate
SMILESCOC(=O)OC(F)F
InChIInChI=1S/C3H4F2O3/c1-7-3(6)8-2(4)5/h2H,1H3
InChIKeyVDGKFLGYHYBDQC-UHFFFAOYSA-N
MW126.06 g/mol
LogP0.99
Rot. Bonds1

About difluoromethyl methyl carbonate

difluoromethyl methyl carbonate (PubChem CID 58421229) has the molecular formula C3H4F2O3 and a molecular weight of 126.06 g/mol. Its IUPAC name is difluoromethyl methyl carbonate.

Molecular Properties

Compound Namedifluoromethyl methyl carbonate
PubChem CID58421229
Molecular FormulaC3H4F2O3
Molecular Weight126.06 g/mol
Exact Mass126.01
IUPAC Namedifluoromethyl methyl carbonate
SMILESCOC(=O)OC(F)F
InChIInChI=1S/C3H4F2O3/c1-7-3(6)8-2(4)5/h2H,1H3
InChIKeyVDGKFLGYHYBDQC-UHFFFAOYSA-N
XLogP0.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.06
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbonic acid, fluoromethyl methyl ester
CID 11622329
Methanol, 1-fluoro-, 1,1'-carbonate
CID 58325586
Methyl trifluoromethyl carbonate
CID 18179982
Difluoro(dimethoxy)methane
CID 21863393
Carbonic acid difluoromethylfluoromethyl ester
CID 87314252
[Difluoro(fluoromethoxy)methyl] methyl carbonate
CID 118390526
Difluoro-(fluoromethoxy)-methoxymethane
CID 161686578
Difluoromethoxymethyl methyl carbonate
CID 152620772

Frequently Asked Questions

What is the IUPAC name of difluoromethyl methyl carbonate?
The IUPAC name of difluoromethyl methyl carbonate (CID 58421229) is difluoromethyl methyl carbonate.
What is the SMILES notation for difluoromethyl methyl carbonate?
The canonical SMILES for difluoromethyl methyl carbonate is COC(=O)OC(F)F.
What is the InChIKey of difluoromethyl methyl carbonate?
The InChIKey is VDGKFLGYHYBDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O3/c1-7-3(6)8-2(4)5/h2H,1H3.
What are the key properties of difluoromethyl methyl carbonate?
difluoromethyl methyl carbonate has a molecular weight of 126.06 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl methyl carbonate is sourced from PubChem (CID 58421229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).