methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate

C7H13F2NO4S — CID 163617657

IUPACmethyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(CCF)CCF
InChIInChI=1S/C7H13F2NO4S/c1-14-7(11)6-15(12,13)10(4-2-8)5-3-9/h2-6H2,1H3
InChIKeyHLILTGTVBXUZDY-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.27
Rot. Bonds7

About methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate

methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate (PubChem CID 163617657) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate
PubChem CID163617657
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Namemethyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(CCF)CCF
InChIInChI=1S/C7H13F2NO4S/c1-14-7(11)6-15(12,13)10(4-2-8)5-3-9/h2-6H2,1H3
InChIKeyHLILTGTVBXUZDY-UHFFFAOYSA-N
XLogP-0.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3,3-difluoroazetidin-1-yl)sulfonylacetate
CID 146442075
(1,1-Difluoro-2-methoxy-2-oxoethyl)sulfonyl-triethylazanium
CID 163676329
Methyl 4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 54952486
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60891177
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60952004
2-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 61605905
Methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584749
2-[(2-Methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258228
Methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]acetate
CID 107483574
Methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetate
CID 107483744
Methyl 4-[2,2-difluoroethyl(methyl)sulfamoyl]butanoate
CID 115634596

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate (CID 163617657) is methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)N(CCF)CCF.
What is the InChIKey of methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate?
The InChIKey is HLILTGTVBXUZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-14-7(11)6-15(12,13)10(4-2-8)5-3-9/h2-6H2,1H3.
What are the key properties of methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate?
methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate has a molecular weight of 245.25 g/mol, XLogP of -0.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate is sourced from PubChem (CID 163617657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).