6-(trifluoromethylsulfonyloxyamino)hexanoic acid

C7H12F3NO5S — CID 90071581

IUPAC6-(trifluoromethylsulfonyloxyamino)hexanoic acid
SMILESO=C(O)CCCCCNOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO5S/c8-7(9,10)17(14,15)16-11-5-3-1-2-4-6(12)13/h11H,1-5H2,(H,12,13)
InChIKeyQXMFXQBRRKTLLL-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.00
Rot. Bonds8

About 6-(trifluoromethylsulfonyloxyamino)hexanoic acid

6-(trifluoromethylsulfonyloxyamino)hexanoic acid (PubChem CID 90071581) has the molecular formula C7H12F3NO5S and a molecular weight of 279.24 g/mol. Its IUPAC name is 6-(trifluoromethylsulfonyloxyamino)hexanoic acid.

Molecular Properties

Compound Name6-(trifluoromethylsulfonyloxyamino)hexanoic acid
PubChem CID90071581
Molecular FormulaC7H12F3NO5S
Molecular Weight279.24 g/mol
Exact Mass279.04
IUPAC Name6-(trifluoromethylsulfonyloxyamino)hexanoic acid
SMILESO=C(O)CCCCCNOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO5S/c8-7(9,10)17(14,15)16-11-5-3-1-2-4-6(12)13/h11H,1-5H2,(H,12,13)
InChIKeyQXMFXQBRRKTLLL-UHFFFAOYSA-N
XLogP1.00
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfonyloxyamino)hexanoic acid?
The IUPAC name of 6-(trifluoromethylsulfonyloxyamino)hexanoic acid (CID 90071581) is 6-(trifluoromethylsulfonyloxyamino)hexanoic acid.
What is the SMILES notation for 6-(trifluoromethylsulfonyloxyamino)hexanoic acid?
The canonical SMILES for 6-(trifluoromethylsulfonyloxyamino)hexanoic acid is O=C(O)CCCCCNOS(=O)(=O)C(F)(F)F.
What is the InChIKey of 6-(trifluoromethylsulfonyloxyamino)hexanoic acid?
The InChIKey is QXMFXQBRRKTLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO5S/c8-7(9,10)17(14,15)16-11-5-3-1-2-4-6(12)13/h11H,1-5H2,(H,12,13).
What are the key properties of 6-(trifluoromethylsulfonyloxyamino)hexanoic acid?
6-(trifluoromethylsulfonyloxyamino)hexanoic acid has a molecular weight of 279.24 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfonyloxyamino)hexanoic acid is sourced from PubChem (CID 90071581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).