CID 143321642

C20H12BF — CID 143321642

IUPAC—
SMILES[B]c1c2ccccc2c(-c2ccccc2F)c2ccccc12
InChIInChI=1S/C20H12BF/c21-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)17-11-5-6-12-18(17)22/h1-12H
InChIKeyIACVIEFGDPGFNU-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.59
Rot. Bonds1

About CID 143321642

CID 143321642 (PubChem CID 143321642) has the molecular formula C20H12BF and a molecular weight of 282.13 g/mol.

Molecular Properties

Compound NameCID 143321642
PubChem CID143321642
Molecular FormulaC20H12BF
Molecular Weight282.13 g/mol
Exact Mass282.10
IUPAC Name—
SMILES[B]c1c2ccccc2c(-c2ccccc2F)c2ccccc12
InChIInChI=1S/C20H12BF/c21-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)17-11-5-6-12-18(17)22/h1-12H
InChIKeyIACVIEFGDPGFNU-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 143321642?
The IUPAC name of CID 143321642 (CID 143321642) is not available.
What is the SMILES notation for CID 143321642?
The canonical SMILES for CID 143321642 is [B]c1c2ccccc2c(-c2ccccc2F)c2ccccc12.
What is the InChIKey of CID 143321642?
The InChIKey is IACVIEFGDPGFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BF/c21-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)17-11-5-6-12-18(17)22/h1-12H.
What are the key properties of CID 143321642?
CID 143321642 has a molecular weight of 282.13 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143321642 is sourced from PubChem (CID 143321642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).