6-(trifluoromethylsulfonylamino)hexanoic acid

C7H12F3NO4S — CID 43361180

IUPAC6-(trifluoromethylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c8-7(9,10)16(14,15)11-5-3-1-2-4-6(12)13/h11H,1-5H2,(H,12,13)
InChIKeyAGMQBPXIWFXYQR-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.07
Rot. Bonds7

About 6-(trifluoromethylsulfonylamino)hexanoic acid

6-(trifluoromethylsulfonylamino)hexanoic acid (PubChem CID 43361180) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 6-(trifluoromethylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(trifluoromethylsulfonylamino)hexanoic acid
PubChem CID43361180
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name6-(trifluoromethylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c8-7(9,10)16(14,15)11-5-3-1-2-4-6(12)13/h11H,1-5H2,(H,12,13)
InChIKeyAGMQBPXIWFXYQR-UHFFFAOYSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfonylamino)hexanoic acid?
The IUPAC name of 6-(trifluoromethylsulfonylamino)hexanoic acid (CID 43361180) is 6-(trifluoromethylsulfonylamino)hexanoic acid.
What is the SMILES notation for 6-(trifluoromethylsulfonylamino)hexanoic acid?
The canonical SMILES for 6-(trifluoromethylsulfonylamino)hexanoic acid is O=C(O)CCCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 6-(trifluoromethylsulfonylamino)hexanoic acid?
The InChIKey is AGMQBPXIWFXYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c8-7(9,10)16(14,15)11-5-3-1-2-4-6(12)13/h11H,1-5H2,(H,12,13).
What are the key properties of 6-(trifluoromethylsulfonylamino)hexanoic acid?
6-(trifluoromethylsulfonylamino)hexanoic acid has a molecular weight of 263.24 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfonylamino)hexanoic acid is sourced from PubChem (CID 43361180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).