difluoromethane;ethyl fluoro carbonate

C4H7F3O3 — CID 175519829

IUPACdifluoromethane;ethyl fluoro carbonate
SMILESCCOC(=O)OF.FCF
InChIInChI=1S/C3H5FO3.CH2F2/c1-2-6-3(5)7-4;2-1-3/h2H2,1H3;1H2
InChIKeyYJDMUPQYSHIGJQ-UHFFFAOYSA-N
MW160.09 g/mol
LogP1.93
Rot. Bonds1

About difluoromethane;ethyl fluoro carbonate

difluoromethane;ethyl fluoro carbonate (PubChem CID 175519829) has the molecular formula C4H7F3O3 and a molecular weight of 160.09 g/mol. Its IUPAC name is difluoromethane;ethyl fluoro carbonate.

Molecular Properties

Compound Namedifluoromethane;ethyl fluoro carbonate
PubChem CID175519829
Molecular FormulaC4H7F3O3
Molecular Weight160.09 g/mol
Exact Mass160.03
IUPAC Namedifluoromethane;ethyl fluoro carbonate
SMILESCCOC(=O)OF.FCF
InChIInChI=1S/C3H5FO3.CH2F2/c1-2-6-3(5)7-4;2-1-3/h2H2,1H3;1H2
InChIKeyYJDMUPQYSHIGJQ-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl fluoro carbonate
CID 18542699
fluoro 2-fluoroethyl carbonate
CID 175101723
CID 175796855
CID 175796855
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethoxycarbonyl 2-fluoroacetate;palladium
CID 174611584
ethyl 3,3,3-trifluoropropyl carbonate
CID 134583803
diethyl 2-(fluoromethoxy)propanedioate
CID 71623533
ethyl 1-fluoroethyl carbonate
CID 11491942
ethoxycarbonyl acetate
CID 169432619

Frequently Asked Questions

What is the IUPAC name of difluoromethane;ethyl fluoro carbonate?
The IUPAC name of difluoromethane;ethyl fluoro carbonate (CID 175519829) is difluoromethane;ethyl fluoro carbonate.
What is the SMILES notation for difluoromethane;ethyl fluoro carbonate?
The canonical SMILES for difluoromethane;ethyl fluoro carbonate is CCOC(=O)OF.FCF.
What is the InChIKey of difluoromethane;ethyl fluoro carbonate?
The InChIKey is YJDMUPQYSHIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3.CH2F2/c1-2-6-3(5)7-4;2-1-3/h2H2,1H3;1H2.
What are the key properties of difluoromethane;ethyl fluoro carbonate?
difluoromethane;ethyl fluoro carbonate has a molecular weight of 160.09 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;ethyl fluoro carbonate is sourced from PubChem (CID 175519829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).