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

C5H8F3NO4S — CID 60891177

IUPAC2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C5H8F3NO4S/c1-9(3-5(6,7)8)14(12,13)2-4(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyCQHVOQKDOOJUTH-UHFFFAOYSA-N
MW235.18 g/mol
LogP-0.11
Rot. Bonds4

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

2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (PubChem CID 60891177) has the molecular formula C5H8F3NO4S and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
PubChem CID60891177
Molecular FormulaC5H8F3NO4S
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)CC(=O)O
InChIInChI=1S/C5H8F3NO4S/c1-9(3-5(6,7)8)14(12,13)2-4(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyCQHVOQKDOOJUTH-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylsulfamoyl)acetic acid
CID 21533281
2-(Diethylsulfamoyl)acetic acid
CID 28773414
Methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate
CID 163617657
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
3-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60891739
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950149
2-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950539
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid (CID 60891177) is 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is CN(CC(F)(F)F)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
The InChIKey is CQHVOQKDOOJUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO4S/c1-9(3-5(6,7)8)14(12,13)2-4(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid?
2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid has a molecular weight of 235.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60891177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).