7-(trifluoromethylsulfonylamino)heptanoic acid

C8H14F3NO4S — CID 43361479

IUPAC7-(trifluoromethylsulfonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c9-8(10,11)17(15,16)12-6-4-2-1-3-5-7(13)14/h12H,1-6H2,(H,13,14)
InChIKeyHXTZLXXKVZDWJJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.46
Rot. Bonds8

About 7-(trifluoromethylsulfonylamino)heptanoic acid

7-(trifluoromethylsulfonylamino)heptanoic acid (PubChem CID 43361479) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 7-(trifluoromethylsulfonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(trifluoromethylsulfonylamino)heptanoic acid
PubChem CID43361479
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name7-(trifluoromethylsulfonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c9-8(10,11)17(15,16)12-6-4-2-1-3-5-7(13)14/h12H,1-6H2,(H,13,14)
InChIKeyHXTZLXXKVZDWJJ-UHFFFAOYSA-N
XLogP1.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.46
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 7-(trifluoromethylsulfonylamino)heptanoic acid?
The IUPAC name of 7-(trifluoromethylsulfonylamino)heptanoic acid (CID 43361479) is 7-(trifluoromethylsulfonylamino)heptanoic acid.
What is the SMILES notation for 7-(trifluoromethylsulfonylamino)heptanoic acid?
The canonical SMILES for 7-(trifluoromethylsulfonylamino)heptanoic acid is O=C(O)CCCCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 7-(trifluoromethylsulfonylamino)heptanoic acid?
The InChIKey is HXTZLXXKVZDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c9-8(10,11)17(15,16)12-6-4-2-1-3-5-7(13)14/h12H,1-6H2,(H,13,14).
What are the key properties of 7-(trifluoromethylsulfonylamino)heptanoic acid?
7-(trifluoromethylsulfonylamino)heptanoic acid has a molecular weight of 277.26 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethylsulfonylamino)heptanoic acid is sourced from PubChem (CID 43361479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).