2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid

C7H12F3NO4S — CID 60952004

IUPAC2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-2-3-11(5-7(8,9)10)16(14,15)4-6(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyQOFSOPHDSQTPDP-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.68
Rot. Bonds6

About 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid

2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (PubChem CID 60952004) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
PubChem CID60952004
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCCCN(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-2-3-11(5-7(8,9)10)16(14,15)4-6(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyQOFSOPHDSQTPDP-UHFFFAOYSA-N
XLogP0.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (CID 60952004) is 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is CCCN(CC(F)(F)F)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The InChIKey is QOFSOPHDSQTPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-2-3-11(5-7(8,9)10)16(14,15)4-6(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid has a molecular weight of 263.24 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60952004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).