CID 67395266

C12H6BCl2F2O — CID 67395266

IUPAC—
SMILESFc1cc([B]Oc2ccc(Cl)c(F)c2)ccc1Cl
InChIInChI=1S/C12H6BCl2F2O/c14-9-3-1-7(5-11(9)16)13-18-8-2-4-10(15)12(17)6-8/h1-6H
InChIKeyVZPSYUMQHCURMQ-UHFFFAOYSA-N
MW285.89 g/mol
LogP3.60
Rot. Bonds3

About CID 67395266

CID 67395266 (PubChem CID 67395266) has the molecular formula C12H6BCl2F2O and a molecular weight of 285.89 g/mol.

Molecular Properties

Compound NameCID 67395266
PubChem CID67395266
Molecular FormulaC12H6BCl2F2O
Molecular Weight285.89 g/mol
Exact Mass284.99
IUPAC Name—
SMILESFc1cc([B]Oc2ccc(Cl)c(F)c2)ccc1Cl
InChIInChI=1S/C12H6BCl2F2O/c14-9-3-1-7(5-11(9)16)13-18-8-2-4-10(15)12(17)6-8/h1-6H
InChIKeyVZPSYUMQHCURMQ-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.89
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67395266?
The IUPAC name of CID 67395266 (CID 67395266) is not available.
What is the SMILES notation for CID 67395266?
The canonical SMILES for CID 67395266 is Fc1cc([B]Oc2ccc(Cl)c(F)c2)ccc1Cl.
What is the InChIKey of CID 67395266?
The InChIKey is VZPSYUMQHCURMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BCl2F2O/c14-9-3-1-7(5-11(9)16)13-18-8-2-4-10(15)12(17)6-8/h1-6H.
What are the key properties of CID 67395266?
CID 67395266 has a molecular weight of 285.89 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67395266 is sourced from PubChem (CID 67395266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).