2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid

C5H7F4NO4S — CID 106290553

IUPAC2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C5H7F4NO4S/c6-4(7)5(8,9)2-10-15(13,14)1-3(11)12/h4,10H,1-2H2,(H,11,12)
InChIKeyYJURFZJANCWQSN-UHFFFAOYSA-N
MW253.17 g/mol
LogP-0.11
Rot. Bonds6

About 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid

2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid (PubChem CID 106290553) has the molecular formula C5H7F4NO4S and a molecular weight of 253.17 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid
PubChem CID106290553
Molecular FormulaC5H7F4NO4S
Molecular Weight253.17 g/mol
Exact Mass253.00
IUPAC Name2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C5H7F4NO4S/c6-4(7)5(8,9)2-10-15(13,14)1-3(11)12/h4,10H,1-2H2,(H,11,12)
InChIKeyYJURFZJANCWQSN-UHFFFAOYSA-N
XLogP-0.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-ethylbutyl)sulfamoyl]acetic acid
CID 115305990
2-[(2-ethoxy-2-methylpropyl)sulfamoyl]acetic acid
CID 114940667
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
3-(2,2,3,3-tetrafluoropropylsulfamoyl)benzoic acid
CID 106290548
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 114169173
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060
2-piperidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide
CID 106293105
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870
4-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294940
2-methyl-3-oxo-3-(2,2,3,3-tetrafluoropropylamino)propanoic acid
CID 106295621
2-(cyclopropylmethylsulfamoyl)acetic acid
CID 28773531
2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106295758

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid (CID 106290553) is 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid?
The InChIKey is YJURFZJANCWQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4NO4S/c6-4(7)5(8,9)2-10-15(13,14)1-3(11)12/h4,10H,1-2H2,(H,11,12).
What are the key properties of 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid?
2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid has a molecular weight of 253.17 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropylsulfamoyl)acetic acid is sourced from PubChem (CID 106290553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).