difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide

C18H13BF3- — CID 140908387

IUPACdifluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide
SMILESFc1ccc([B-](F)(F)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H13BF3/c20-18-12-10-17(11-13-18)19(21,22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H/q-1
InChIKeyFLXYVQJZRJZYQR-UHFFFAOYSA-N
MW297.11 g/mol
LogP3.99
Rot. Bonds3

About difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide

difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide (PubChem CID 140908387) has the molecular formula C18H13BF3- and a molecular weight of 297.11 g/mol. Its IUPAC name is difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide.

Molecular Properties

Compound Namedifluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide
PubChem CID140908387
Molecular FormulaC18H13BF3-
Molecular Weight297.11 g/mol
Exact Mass297.11
IUPAC Namedifluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide
SMILESFc1ccc([B-](F)(F)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H13BF3/c20-18-12-10-17(11-13-18)19(21,22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H/q-1
InChIKeyFLXYVQJZRJZYQR-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide?
The IUPAC name of difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide (CID 140908387) is difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide.
What is the SMILES notation for difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide?
The canonical SMILES for difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide is Fc1ccc([B-](F)(F)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide?
The InChIKey is FLXYVQJZRJZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BF3/c20-18-12-10-17(11-13-18)19(21,22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H/q-1.
What are the key properties of difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide?
difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide has a molecular weight of 297.11 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide is sourced from PubChem (CID 140908387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).