1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane

C9H6F13N3 — CID 89422665

IUPAC1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane
SMILES[N-]=[N+]=NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(F)(F)F
InChIInChI=1S/C9H6F13N3/c10-4(11,2-1-3-5(12,13)14)6(15,16)7(17,18)8(19,20)9(21,22)24-25-23/h1-3H2
InChIKeyOAXQNVYLIFCXKC-UHFFFAOYSA-N
MW403.14 g/mol
LogP6.16
Rot. Bonds8

About 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane

1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane (PubChem CID 89422665) has the molecular formula C9H6F13N3 and a molecular weight of 403.14 g/mol. Its IUPAC name is 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane.

Molecular Properties

Compound Name1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane
PubChem CID89422665
Molecular FormulaC9H6F13N3
Molecular Weight403.14 g/mol
Exact Mass403.04
IUPAC Name1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane
SMILES[N-]=[N+]=NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(F)(F)F
InChIInChI=1S/C9H6F13N3/c10-4(11,2-1-3-5(12,13)14)6(15,16)7(17,18)8(19,20)9(21,22)24-25-23/h1-3H2
InChIKeyOAXQNVYLIFCXKC-UHFFFAOYSA-N
XLogP6.16
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.14
LogP ≤ 56.16
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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Related Compounds

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CID 175161760
azane;1,1,2,2,3,3,4,4,5,5,6,6,12,12,12-pentadecafluorododecane-1-sulfonic acid
CID 175159561
sodium 1,1,2,2,3,3,4,4,5,5,11,11,11-tridecafluoroundecane-1-sulfonate
CID 141492470
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecane-1-sulfonic acid
CID 171927807
dimethylazanium;1,1,2,2,3,3,4,4,5,5,10,10,10-tridecafluorodecane-1-sulfonate
CID 141491998
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecanal
CID 15415170
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorododecanedial
CID 146309216
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)undecane-1-thiol
CID 56590157
azanium 1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonate
CID 141492323
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833

Frequently Asked Questions

What is the IUPAC name of 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane?
The IUPAC name of 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane (CID 89422665) is 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane.
What is the SMILES notation for 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane?
The canonical SMILES for 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane is [N-]=[N+]=NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(F)(F)F.
What is the InChIKey of 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane?
The InChIKey is OAXQNVYLIFCXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F13N3/c10-4(11,2-1-3-5(12,13)14)6(15,16)7(17,18)8(19,20)9(21,22)24-25-23/h1-3H2.
What are the key properties of 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane?
1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane has a molecular weight of 403.14 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane is sourced from PubChem (CID 89422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).