4-bromo-1,2-difluorobenzene;dihydrofluoride

C6H5BrF4 — CID 174492303

IUPAC4-bromo-1,2-difluorobenzene;dihydrofluoride
SMILESF.F.Fc1ccc(Br)cc1F
InChIInChI=1S/C6H3BrF2.2FH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H;2*1H
InChIKeyVHSFUDYVIOUPRI-UHFFFAOYSA-N
MW233.00 g/mol
LogP3.03
Rot. Bonds

About 4-bromo-1,2-difluorobenzene;dihydrofluoride

4-bromo-1,2-difluorobenzene;dihydrofluoride (PubChem CID 174492303) has the molecular formula C6H5BrF4 and a molecular weight of 233.00 g/mol. Its IUPAC name is 4-bromo-1,2-difluorobenzene;dihydrofluoride.

Molecular Properties

Compound Name4-bromo-1,2-difluorobenzene;dihydrofluoride
PubChem CID174492303
Molecular FormulaC6H5BrF4
Molecular Weight233.00 g/mol
Exact Mass231.95
IUPAC Name4-bromo-1,2-difluorobenzene;dihydrofluoride
SMILESF.F.Fc1ccc(Br)cc1F
InChIInChI=1S/C6H3BrF2.2FH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H;2*1H
InChIKeyVHSFUDYVIOUPRI-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.00
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1,2-difluorobenzene;5-bromo-1,2-difluoro-3-methylbenzene
CID 160943095
4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
CID 55199317
4-bromo-1-fluoro-2-iodobenzene
CID 2782750
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene
CID 160825147
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
sodium 4-bromo-2-fluorophenolate
CID 23667911
magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride
CID 173042534
(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
CID 116591705
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
CID 88874839
CID 88874839

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-difluorobenzene;dihydrofluoride?
The IUPAC name of 4-bromo-1,2-difluorobenzene;dihydrofluoride (CID 174492303) is 4-bromo-1,2-difluorobenzene;dihydrofluoride.
What is the SMILES notation for 4-bromo-1,2-difluorobenzene;dihydrofluoride?
The canonical SMILES for 4-bromo-1,2-difluorobenzene;dihydrofluoride is F.F.Fc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-1,2-difluorobenzene;dihydrofluoride?
The InChIKey is VHSFUDYVIOUPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2.2FH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H;2*1H.
What are the key properties of 4-bromo-1,2-difluorobenzene;dihydrofluoride?
4-bromo-1,2-difluorobenzene;dihydrofluoride has a molecular weight of 233.00 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2-difluorobenzene;dihydrofluoride is sourced from PubChem (CID 174492303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).