methyl propanoate;sulfuryl difluoride

C4H8F2O4S — CID 146421317

IUPACmethyl propanoate;sulfuryl difluoride
SMILESCCC(=O)OC.O=S(=O)(F)F
InChIInChI=1S/C4H8O2.F2O2S/c1-3-4(5)6-2;1-5(2,3)4/h3H2,1-2H3;
InChIKeyMCIUXUAADADBQU-UHFFFAOYSA-N
MW190.17 g/mol
LogP0.74
Rot. Bonds1

About methyl propanoate;sulfuryl difluoride

methyl propanoate;sulfuryl difluoride (PubChem CID 146421317) has the molecular formula C4H8F2O4S and a molecular weight of 190.17 g/mol. Its IUPAC name is methyl propanoate;sulfuryl difluoride.

Molecular Properties

Compound Namemethyl propanoate;sulfuryl difluoride
PubChem CID146421317
Molecular FormulaC4H8F2O4S
Molecular Weight190.17 g/mol
Exact Mass190.01
IUPAC Namemethyl propanoate;sulfuryl difluoride
SMILESCCC(=O)OC.O=S(=O)(F)F
InChIInChI=1S/C4H8O2.F2O2S/c1-3-4(5)6-2;1-5(2,3)4/h3H2,1-2H3;
InChIKeyMCIUXUAADADBQU-UHFFFAOYSA-N
XLogP0.74
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl propanoate;sulfuryl difluoride?
The IUPAC name of methyl propanoate;sulfuryl difluoride (CID 146421317) is methyl propanoate;sulfuryl difluoride.
What is the SMILES notation for methyl propanoate;sulfuryl difluoride?
The canonical SMILES for methyl propanoate;sulfuryl difluoride is CCC(=O)OC.O=S(=O)(F)F.
What is the InChIKey of methyl propanoate;sulfuryl difluoride?
The InChIKey is MCIUXUAADADBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.F2O2S/c1-3-4(5)6-2;1-5(2,3)4/h3H2,1-2H3;.
What are the key properties of methyl propanoate;sulfuryl difluoride?
methyl propanoate;sulfuryl difluoride has a molecular weight of 190.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propanoate;sulfuryl difluoride is sourced from PubChem (CID 146421317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).