2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid

C6H10F3NO5S — CID 63827503

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C6H10F3NO5S/c7-6(8,9)4-15-2-1-10-16(13,14)3-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeySXZDZNMVOGYRDY-UHFFFAOYSA-N
MW265.21 g/mol
LogP-0.43
Rot. Bonds7

About 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid

2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid (PubChem CID 63827503) has the molecular formula C6H10F3NO5S and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid
PubChem CID63827503
Molecular FormulaC6H10F3NO5S
Molecular Weight265.21 g/mol
Exact Mass265.02
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C6H10F3NO5S/c7-6(8,9)4-15-2-1-10-16(13,14)3-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeySXZDZNMVOGYRDY-UHFFFAOYSA-N
XLogP-0.43
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Amino-2-(2,2,2-trifluoroacetyl)oxypropane-1-sulfonic acid
CID 11680388
1,3,4-Oxathiazinane 3,3-dioxide;2,2,2-trifluoroacetic acid
CID 22291041
3-Amino-2-(2,2,3,3,3-pentafluoropropanoyloxy)propane-1-sulfonic acid
CID 58691856
2-(Trifluoromethylsulfonylamino)ethyl acetate
CID 88539107
2-(1,1,2,2,3,3,3-Heptafluoropropylsulfonylamino)ethyl acetate
CID 129294900
2-(1,1,2,2,2-Pentafluoroethylsulfonylamino)ethyl acetate
CID 129294904
Methyl 2-(2,2-difluoroethylsulfamoyl)acetate
CID 141238521
2-[[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]ethyl acetate
CID 143625330
Ethyl 2-(2,2,2-trifluoroethylsulfonylamino)acetate
CID 171486345
Ethyl 2-(2,2-difluoroethylsulfonylamino)acetate
CID 171486346
2-(3,3,3-Trifluoropropylsulfamoyl)acetic acid
CID 63226430
4-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]butanoic acid
CID 63826798

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid (CID 63827503) is 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid?
The InChIKey is SXZDZNMVOGYRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO5S/c7-6(8,9)4-15-2-1-10-16(13,14)3-5(11)12/h10H,1-4H2,(H,11,12).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid?
2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid has a molecular weight of 265.21 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]acetic acid is sourced from PubChem (CID 63827503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).