CID 136723309

C20H15BF3O2P — CID 136723309

IUPAC—
SMILESO=C(O[B-][P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H15BF3O2P/c22-20(23,24)19(25)26-21-27(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyJQPFEMUCMABLTL-UHFFFAOYSA-N
MW386.12 g/mol
LogP3.62
Rot. Bonds5

About CID 136723309

CID 136723309 (PubChem CID 136723309) has the molecular formula C20H15BF3O2P and a molecular weight of 386.12 g/mol.

Molecular Properties

Compound NameCID 136723309
PubChem CID136723309
Molecular FormulaC20H15BF3O2P
Molecular Weight386.12 g/mol
Exact Mass386.09
IUPAC Name—
SMILESO=C(O[B-][P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H15BF3O2P/c22-20(23,24)19(25)26-21-27(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyJQPFEMUCMABLTL-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.12
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 136723309?
The IUPAC name of CID 136723309 (CID 136723309) is not available.
What is the SMILES notation for CID 136723309?
The canonical SMILES for CID 136723309 is O=C(O[B-][P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of CID 136723309?
The InChIKey is JQPFEMUCMABLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BF3O2P/c22-20(23,24)19(25)26-21-27(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of CID 136723309?
CID 136723309 has a molecular weight of 386.12 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136723309 is sourced from PubChem (CID 136723309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).