CID 16557825

C16H40BF4N4P- — CID 16557825

IUPAC—
SMILESCCN(CC)[P](N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C16H40N4P.BF4/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;2-1(3,4)5/h9-16H2,1-8H3;/q;-1
InChIKeyKZBKQGKOVGFUFE-UHFFFAOYSA-N
MW406.30 g/mol
LogP5.33
Rot. Bonds12

About CID 16557825

CID 16557825 (PubChem CID 16557825) has the molecular formula C16H40BF4N4P- and a molecular weight of 406.30 g/mol.

Molecular Properties

Compound NameCID 16557825
PubChem CID16557825
Molecular FormulaC16H40BF4N4P-
Molecular Weight406.30 g/mol
Exact Mass406.30
IUPAC Name—
SMILESCCN(CC)[P](N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C16H40N4P.BF4/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;2-1(3,4)5/h9-16H2,1-8H3;/q;-1
InChIKeyKZBKQGKOVGFUFE-UHFFFAOYSA-N
XLogP5.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.30
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 16557825?
The IUPAC name of CID 16557825 (CID 16557825) is not available.
What is the SMILES notation for CID 16557825?
The canonical SMILES for CID 16557825 is CCN(CC)[P](N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F.
What is the InChIKey of CID 16557825?
The InChIKey is KZBKQGKOVGFUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N4P.BF4/c1-9-17(10-2)21(18(11-3)12-4,19(13-5)14-6)20(15-7)16-8;2-1(3,4)5/h9-16H2,1-8H3;/q;-1.
What are the key properties of CID 16557825?
CID 16557825 has a molecular weight of 406.30 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16557825 is sourced from PubChem (CID 16557825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).