difluoromethyl fluoro carbonate

C2HF3O3 — CID 175146613

IUPACdifluoromethyl fluoro carbonate
SMILESO=C(OF)OC(F)F
InChIInChI=1S/C2HF3O3/c3-1(4)7-2(6)8-5/h1H
InChIKeyXMWJQVTYDFYKAR-UHFFFAOYSA-N
MW130.02 g/mol
LogP1.25
Rot. Bonds1

About difluoromethyl fluoro carbonate

difluoromethyl fluoro carbonate (PubChem CID 175146613) has the molecular formula C2HF3O3 and a molecular weight of 130.02 g/mol. Its IUPAC name is difluoromethyl fluoro carbonate.

Molecular Properties

Compound Namedifluoromethyl fluoro carbonate
PubChem CID175146613
Molecular FormulaC2HF3O3
Molecular Weight130.02 g/mol
Exact Mass129.99
IUPAC Namedifluoromethyl fluoro carbonate
SMILESO=C(OF)OC(F)F
InChIInChI=1S/C2HF3O3/c3-1(4)7-2(6)8-5/h1H
InChIKeyXMWJQVTYDFYKAR-UHFFFAOYSA-N
XLogP1.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.02
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl trifluoromethyl carbonate
CID 18179982
Fluoromethyl carbonofluoridate
CID 10887833
Fluoromethanoic acid difluoromethyl ester
CID 12713324
Fluoromethyl trifluoromethyl carbonate
CID 20871002
Difluoromethyl hydrogen carbonate
CID 84715997
Bis(difluoromethyl) carbonate
CID 87079886
Carbonic acid difluoromethylfluoromethyl ester
CID 87314252
Difluoromethyl trifluoromethyl carbonate
CID 87314296
Carbon dioxide;difluoromethoxy(difluoro)methane
CID 88791514
Trifluoromethyl carbonate
CID 3512265
(Trifluoromethoxyformyloxy)radical
CID 101767146

Frequently Asked Questions

What is the IUPAC name of difluoromethyl fluoro carbonate?
The IUPAC name of difluoromethyl fluoro carbonate (CID 175146613) is difluoromethyl fluoro carbonate.
What is the SMILES notation for difluoromethyl fluoro carbonate?
The canonical SMILES for difluoromethyl fluoro carbonate is O=C(OF)OC(F)F.
What is the InChIKey of difluoromethyl fluoro carbonate?
The InChIKey is XMWJQVTYDFYKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O3/c3-1(4)7-2(6)8-5/h1H.
What are the key properties of difluoromethyl fluoro carbonate?
difluoromethyl fluoro carbonate has a molecular weight of 130.02 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl fluoro carbonate is sourced from PubChem (CID 175146613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).