CID 67375671

C16H12BF2O2 — CID 67375671

IUPAC—
SMILESFc1ccc(C=CO[B]OC=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H12BF2O2/c18-15-5-1-13(2-6-15)9-11-20-17-21-12-10-14-3-7-16(19)8-4-14/h1-12H
InChIKeyVPEYMCYSOBRJTP-UHFFFAOYSA-N
MW285.08 g/mol
LogP4.17
Rot. Bonds6

About CID 67375671

CID 67375671 (PubChem CID 67375671) has the molecular formula C16H12BF2O2 and a molecular weight of 285.08 g/mol.

Molecular Properties

Compound NameCID 67375671
PubChem CID67375671
Molecular FormulaC16H12BF2O2
Molecular Weight285.08 g/mol
Exact Mass285.09
IUPAC Name—
SMILESFc1ccc(C=CO[B]OC=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H12BF2O2/c18-15-5-1-13(2-6-15)9-11-20-17-21-12-10-14-3-7-16(19)8-4-14/h1-12H
InChIKeyVPEYMCYSOBRJTP-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 67375671?
The IUPAC name of CID 67375671 (CID 67375671) is not available.
What is the SMILES notation for CID 67375671?
The canonical SMILES for CID 67375671 is Fc1ccc(C=CO[B]OC=Cc2ccc(F)cc2)cc1.
What is the InChIKey of CID 67375671?
The InChIKey is VPEYMCYSOBRJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BF2O2/c18-15-5-1-13(2-6-15)9-11-20-17-21-12-10-14-3-7-16(19)8-4-14/h1-12H.
What are the key properties of CID 67375671?
CID 67375671 has a molecular weight of 285.08 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67375671 is sourced from PubChem (CID 67375671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).