dichloro-(4-fluorophenyl)borane

C6H4BCl2F — CID 119097665

IUPACdichloro-(4-fluorophenyl)borane
SMILESFc1ccc(B(Cl)Cl)cc1
InChIInChI=1S/C6H4BCl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4H
InChIKeyQGPQIMCVYJLRTA-UHFFFAOYSA-N
MW176.81 g/mol
LogP2.00
Rot. Bonds1

About dichloro-(4-fluorophenyl)borane

dichloro-(4-fluorophenyl)borane (PubChem CID 119097665) has the molecular formula C6H4BCl2F and a molecular weight of 176.81 g/mol. Its IUPAC name is dichloro-(4-fluorophenyl)borane.

Molecular Properties

Compound Namedichloro-(4-fluorophenyl)borane
PubChem CID119097665
Molecular FormulaC6H4BCl2F
Molecular Weight176.81 g/mol
Exact Mass175.98
IUPAC Namedichloro-(4-fluorophenyl)borane
SMILESFc1ccc(B(Cl)Cl)cc1
InChIInChI=1S/C6H4BCl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4H
InChIKeyQGPQIMCVYJLRTA-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

N-[chloro-(4-fluorophenyl)boranyl]-N-methylmethanamine
CID 71396368
1,4-difluorobenzene bromide
CID 21301175
1,4-difluorobenzene;trichloroalumane
CID 174965184
(4-fluorophenyl)-diphenylborane
CID 57046052
bis(4-fluorophenyl)-methoxyborane
CID 23358739
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
(4-fluorophenyl)-triphenyl-λ4-sulfane
CID 121305957
tris(4-fluorophenyl)-phenyl-λ4-sulfane
CID 118643814
bis(4-fluorophenyl)-propan-2-yloxyborane
CID 11086483
chloromethane;(4-fluorophenyl)hydrazine
CID 158547421
(4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid
CID 175150273
(7-fluoronaphthalen-2-yl)boronic acid
CID 22240184

Frequently Asked Questions

What is the IUPAC name of dichloro-(4-fluorophenyl)borane?
The IUPAC name of dichloro-(4-fluorophenyl)borane (CID 119097665) is dichloro-(4-fluorophenyl)borane.
What is the SMILES notation for dichloro-(4-fluorophenyl)borane?
The canonical SMILES for dichloro-(4-fluorophenyl)borane is Fc1ccc(B(Cl)Cl)cc1.
What is the InChIKey of dichloro-(4-fluorophenyl)borane?
The InChIKey is QGPQIMCVYJLRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BCl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4H.
What are the key properties of dichloro-(4-fluorophenyl)borane?
dichloro-(4-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-(4-fluorophenyl)borane is sourced from PubChem (CID 119097665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).