triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium

C6F5N9P+ — CID 23415155

IUPACtriazido-(2,3,4,5,6-pentafluorophenyl)phosphanium
SMILES[N-]=[N+]=N[P+](N=[N+]=[N-])(N=[N+]=[N-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F5N9P/c7-1-2(8)4(10)6(5(11)3(1)9)21(18-15-12,19-16-13)20-17-14/q+1
InChIKeyMPSOJQHNIXQOTE-UHFFFAOYSA-N
MW324.09 g/mol
LogP4.70
Rot. Bonds4

About triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium

triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium (PubChem CID 23415155) has the molecular formula C6F5N9P+ and a molecular weight of 324.09 g/mol. Its IUPAC name is triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium.

Molecular Properties

Compound Nametriazido-(2,3,4,5,6-pentafluorophenyl)phosphanium
PubChem CID23415155
Molecular FormulaC6F5N9P+
Molecular Weight324.09 g/mol
Exact Mass323.99
IUPAC Nametriazido-(2,3,4,5,6-pentafluorophenyl)phosphanium
SMILES[N-]=[N+]=N[P+](N=[N+]=[N-])(N=[N+]=[N-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F5N9P/c7-1-2(8)4(10)6(5(11)3(1)9)21(18-15-12,19-16-13)20-17-14/q+1
InChIKeyMPSOJQHNIXQOTE-UHFFFAOYSA-N
XLogP4.70
TPSA146.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The IUPAC name of triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium (CID 23415155) is triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium.
What is the SMILES notation for triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The canonical SMILES for triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium is [N-]=[N+]=N[P+](N=[N+]=[N-])(N=[N+]=[N-])c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The InChIKey is MPSOJQHNIXQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F5N9P/c7-1-2(8)4(10)6(5(11)3(1)9)21(18-15-12,19-16-13)20-17-14/q+1.
What are the key properties of triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium?
triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium has a molecular weight of 324.09 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium is sourced from PubChem (CID 23415155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).