CID 54308215

C24H19BF6 — CID 54308215

IUPAC—
SMILES[B]CCCCCC(c1cc(F)cc(F)c1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C24H19BF6/c25-5-3-1-2-4-24(15-6-18(26)12-19(27)7-15,16-8-20(28)13-21(29)9-16)17-10-22(30)14-23(31)11-17/h6-14H,1-5H2
InChIKeyDQMRVORJHFDBES-UHFFFAOYSA-N
MW432.22 g/mol
LogP7.00
Rot. Bonds8

About CID 54308215

CID 54308215 (PubChem CID 54308215) has the molecular formula C24H19BF6 and a molecular weight of 432.22 g/mol.

Molecular Properties

Compound NameCID 54308215
PubChem CID54308215
Molecular FormulaC24H19BF6
Molecular Weight432.22 g/mol
Exact Mass432.15
IUPAC Name—
SMILES[B]CCCCCC(c1cc(F)cc(F)c1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C24H19BF6/c25-5-3-1-2-4-24(15-6-18(26)12-19(27)7-15,16-8-20(28)13-21(29)9-16)17-10-22(30)14-23(31)11-17/h6-14H,1-5H2
InChIKeyDQMRVORJHFDBES-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.22
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 54308215?
The IUPAC name of CID 54308215 (CID 54308215) is not available.
What is the SMILES notation for CID 54308215?
The canonical SMILES for CID 54308215 is [B]CCCCCC(c1cc(F)cc(F)c1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1.
What is the InChIKey of CID 54308215?
The InChIKey is DQMRVORJHFDBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BF6/c25-5-3-1-2-4-24(15-6-18(26)12-19(27)7-15,16-8-20(28)13-21(29)9-16)17-10-22(30)14-23(31)11-17/h6-14H,1-5H2.
What are the key properties of CID 54308215?
CID 54308215 has a molecular weight of 432.22 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54308215 is sourced from PubChem (CID 54308215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).