methyl 2-(2,2-difluoroethylsulfamoyl)acetate

C5H9F2NO4S — CID 141238521

IUPACmethyl 2-(2,2-difluoroethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCC(F)F
InChIInChI=1S/C5H9F2NO4S/c1-12-5(9)3-13(10,11)8-2-4(6)7/h4,8H,2-3H2,1H3
InChIKeyQPFVMHUZPQHPDU-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.66
Rot. Bonds5

About methyl 2-(2,2-difluoroethylsulfamoyl)acetate

methyl 2-(2,2-difluoroethylsulfamoyl)acetate (PubChem CID 141238521) has the molecular formula C5H9F2NO4S and a molecular weight of 217.19 g/mol. Its IUPAC name is methyl 2-(2,2-difluoroethylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2-difluoroethylsulfamoyl)acetate
PubChem CID141238521
Molecular FormulaC5H9F2NO4S
Molecular Weight217.19 g/mol
Exact Mass217.02
IUPAC Namemethyl 2-(2,2-difluoroethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCC(F)F
InChIInChI=1S/C5H9F2NO4S/c1-12-5(9)3-13(10,11)8-2-4(6)7/h4,8H,2-3H2,1H3
InChIKeyQPFVMHUZPQHPDU-UHFFFAOYSA-N
XLogP-0.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylsulfonyl)ethylamine trifluoroacetate
CID 86700926
(1-Amino-2-methylsulfonylethyl) 2,2,2-trifluoroacetate
CID 89644072
2-(1,1,2,2,2-Pentafluoroethylsulfonylamino)ethyl acetate
CID 129294904
(1-Aminoethoxymethylsulfonylamino) 2,2,2-trifluoroacetate
CID 141512763
2-Sulfoethylazanium;2,2,2-trifluoroacetate
CID 156904606
Ethyl 2-(2,2,2-trifluoroethylsulfonylamino)acetate
CID 171486345
Ethyl 2-(2,2-difluoroethylsulfonylamino)acetate
CID 171486346
Methyl 3-(difluoromethylsulfonylamino)propanoate
CID 61295001
Methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
Methyl 4-(3,3,3-trifluoropropylsulfamoyl)butanoate
CID 63226126
2-(3,3,3-Trifluoropropylsulfamoyl)propanoic acid
CID 63226128
2-(3,3,3-Trifluoropropylsulfamoyl)acetic acid
CID 63226430

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-difluoroethylsulfamoyl)acetate?
The IUPAC name of methyl 2-(2,2-difluoroethylsulfamoyl)acetate (CID 141238521) is methyl 2-(2,2-difluoroethylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(2,2-difluoroethylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(2,2-difluoroethylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NCC(F)F.
What is the InChIKey of methyl 2-(2,2-difluoroethylsulfamoyl)acetate?
The InChIKey is QPFVMHUZPQHPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO4S/c1-12-5(9)3-13(10,11)8-2-4(6)7/h4,8H,2-3H2,1H3.
What are the key properties of methyl 2-(2,2-difluoroethylsulfamoyl)acetate?
methyl 2-(2,2-difluoroethylsulfamoyl)acetate has a molecular weight of 217.19 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-difluoroethylsulfamoyl)acetate is sourced from PubChem (CID 141238521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).