2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid

C7H12F3NO4S — CID 60950539

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-5(2)11(4-7(8,9)10)16(14,15)3-6(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyMELSFQMEWONZKE-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.67
Rot. Bonds5

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

2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (PubChem CID 60950539) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
PubChem CID60950539
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-5(2)11(4-7(8,9)10)16(14,15)3-6(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyMELSFQMEWONZKE-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876267
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
2-[Difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60891177
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
3-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60891739
3-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951175
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60951431
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60952004
3-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60952168

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (CID 60950539) is 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is CC(C)N(CC(F)(F)F)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The InChIKey is MELSFQMEWONZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-5(2)11(4-7(8,9)10)16(14,15)3-6(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid has a molecular weight of 263.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60950539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).