dichloro-(3-fluorophenyl)borane

C6H4BCl2F — CID 146014984

IUPACdichloro-(3-fluorophenyl)borane
SMILESFc1cccc(B(Cl)Cl)c1
InChIInChI=1S/C6H4BCl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4H
InChIKeyPUDJNSMYLWSSDB-UHFFFAOYSA-N
MW176.81 g/mol
LogP2.00
Rot. Bonds1

About dichloro-(3-fluorophenyl)borane

dichloro-(3-fluorophenyl)borane (PubChem CID 146014984) has the molecular formula C6H4BCl2F and a molecular weight of 176.81 g/mol. Its IUPAC name is dichloro-(3-fluorophenyl)borane.

Molecular Properties

Compound Namedichloro-(3-fluorophenyl)borane
PubChem CID146014984
Molecular FormulaC6H4BCl2F
Molecular Weight176.81 g/mol
Exact Mass175.98
IUPAC Namedichloro-(3-fluorophenyl)borane
SMILESFc1cccc(B(Cl)Cl)c1
InChIInChI=1S/C6H4BCl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4H
InChIKeyPUDJNSMYLWSSDB-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.81
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Fluorobenzene
CID 10008
1,3-Difluorobenzene
CID 9741
1,4-Difluorobenzene
CID 10892
2-Fluorophenylboronic acid
CID 2734354
4-Fluorophenylboronic acid
CID 285645
4-Fluoroiodobenzene
CID 9605
1-Fluoro-3-iodobenzene
CID 70725
Trichlorophenylstannane
CID 14298
1,2-Difluorobenzene
CID 9706
Potassium (2,6-difluorophenyl)trifluoroboranuide
CID 23677741
1-Fluoro-2-iodobenzene
CID 67673
Trichlorophenylgermane
CID 66176

Frequently Asked Questions

What is the IUPAC name of dichloro-(3-fluorophenyl)borane?
The IUPAC name of dichloro-(3-fluorophenyl)borane (CID 146014984) is dichloro-(3-fluorophenyl)borane.
What is the SMILES notation for dichloro-(3-fluorophenyl)borane?
The canonical SMILES for dichloro-(3-fluorophenyl)borane is Fc1cccc(B(Cl)Cl)c1.
What is the InChIKey of dichloro-(3-fluorophenyl)borane?
The InChIKey is PUDJNSMYLWSSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BCl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4H.
What are the key properties of dichloro-(3-fluorophenyl)borane?
dichloro-(3-fluorophenyl)borane has a molecular weight of 176.81 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3-fluorophenyl)borane is sourced from PubChem (CID 146014984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).