diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium

C6ClF5N6P+ — CID 23415100

IUPACdiazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium
SMILES[N-]=[N+]=N[P+](Cl)(N=[N+]=[N-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6ClF5N6P/c7-19(17-15-13,18-16-14)6-4(11)2(9)1(8)3(10)5(6)12/q+1
InChIKeyJRRRUQWBZVXORR-UHFFFAOYSA-N
MW317.53 g/mol
LogP4.63
Rot. Bonds3

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

diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium (PubChem CID 23415100) has the molecular formula C6ClF5N6P+ and a molecular weight of 317.53 g/mol. Its IUPAC name is diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium.

Molecular Properties

Compound Namediazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium
PubChem CID23415100
Molecular FormulaC6ClF5N6P+
Molecular Weight317.53 g/mol
Exact Mass316.95
IUPAC Namediazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium
SMILES[N-]=[N+]=N[P+](Cl)(N=[N+]=[N-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6ClF5N6P/c7-19(17-15-13,18-16-14)6-4(11)2(9)1(8)3(10)5(6)12/q+1
InChIKeyJRRRUQWBZVXORR-UHFFFAOYSA-N
XLogP4.63
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.53
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The IUPAC name of diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium (CID 23415100) is diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium.
What is the SMILES notation for diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The canonical SMILES for diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium is [N-]=[N+]=N[P+](Cl)(N=[N+]=[N-])c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium?
The InChIKey is JRRRUQWBZVXORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF5N6P/c7-19(17-15-13,18-16-14)6-4(11)2(9)1(8)3(10)5(6)12/q+1.
What are the key properties of diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium?
diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium has a molecular weight of 317.53 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazido-chloro-(2,3,4,5,6-pentafluorophenyl)phosphanium is sourced from PubChem (CID 23415100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).