8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane

C8HF16N3 — CID 86154930

IUPAC8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane
SMILES[N-]=[N+]=NC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF16N3/c9-1(3(12,13)26-27-25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H
InChIKeyGRSWUPNPRBQKBJ-UHFFFAOYSA-N
MW443.09 g/mol
LogP5.97
Rot. Bonds7

About 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane

8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane (PubChem CID 86154930) has the molecular formula C8HF16N3 and a molecular weight of 443.09 g/mol. Its IUPAC name is 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane.

Molecular Properties

Compound Name8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane
PubChem CID86154930
Molecular FormulaC8HF16N3
Molecular Weight443.09 g/mol
Exact Mass442.99
IUPAC Name8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane
SMILES[N-]=[N+]=NC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF16N3/c9-1(3(12,13)26-27-25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H
InChIKeyGRSWUPNPRBQKBJ-UHFFFAOYSA-N
XLogP5.97
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.09
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane?
The IUPAC name of 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane (CID 86154930) is 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane.
What is the SMILES notation for 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane?
The canonical SMILES for 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane is [N-]=[N+]=NC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane?
The InChIKey is GRSWUPNPRBQKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF16N3/c9-1(3(12,13)26-27-25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H.
What are the key properties of 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane?
8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane has a molecular weight of 443.09 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8-hexadecafluorooctane is sourced from PubChem (CID 86154930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).