2-(trifluoromethylsulfonylamino)acetic acid

C3H4F3NO4S — CID 3797093

IUPAC2-(trifluoromethylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO4S/c4-3(5,6)12(10,11)7-1-2(8)9/h7H,1H2,(H,8,9)
InChIKeyXJBOVNHJBAOYQC-UHFFFAOYSA-N
MW207.13 g/mol
LogP-0.49
Rot. Bonds3

About 2-(trifluoromethylsulfonylamino)acetic acid

2-(trifluoromethylsulfonylamino)acetic acid (PubChem CID 3797093) has the molecular formula C3H4F3NO4S and a molecular weight of 207.13 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)acetic acid
PubChem CID3797093
Molecular FormulaC3H4F3NO4S
Molecular Weight207.13 g/mol
Exact Mass206.98
IUPAC Name2-(trifluoromethylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO4S/c4-3(5,6)12(10,11)7-1-2(8)9/h7H,1H2,(H,8,9)
InChIKeyXJBOVNHJBAOYQC-UHFFFAOYSA-N
XLogP-0.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylamino)acetic acid?
The IUPAC name of 2-(trifluoromethylsulfonylamino)acetic acid (CID 3797093) is 2-(trifluoromethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)acetic acid?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)acetic acid?
The InChIKey is XJBOVNHJBAOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO4S/c4-3(5,6)12(10,11)7-1-2(8)9/h7H,1H2,(H,8,9).
What are the key properties of 2-(trifluoromethylsulfonylamino)acetic acid?
2-(trifluoromethylsulfonylamino)acetic acid has a molecular weight of 207.13 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylamino)acetic acid is sourced from PubChem (CID 3797093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).