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

C8H14F3NO4S — CID 60952306

IUPAC2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-6(2)3-12(5-8(9,10)11)17(15,16)4-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyHABFQSIYVFEQHS-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.92
Rot. Bonds6

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

2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (PubChem CID 60952306) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
PubChem CID60952306
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-6(2)3-12(5-8(9,10)11)17(15,16)4-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyHABFQSIYVFEQHS-UHFFFAOYSA-N
XLogP0.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
2-[3-Ethoxypropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 54876265
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
2-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60891177
3-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60891739
2-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950539
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950823

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (CID 60952306) is 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is CC(C)CN(CC(F)(F)F)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The InChIKey is HABFQSIYVFEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-6(2)3-12(5-8(9,10)11)17(15,16)4-7(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid has a molecular weight of 277.26 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60952306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).