1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene

C19H12BrF3 — CID 626724

IUPAC1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H12BrF3/c20-19(13-1-7-16(21)8-2-13,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H
InChIKeyDYMCGODRYMABQY-UHFFFAOYSA-N
MW377.20 g/mol
LogP5.79
Rot. Bonds3

About 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene

1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene (PubChem CID 626724) has the molecular formula C19H12BrF3 and a molecular weight of 377.20 g/mol. Its IUPAC name is 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene
PubChem CID626724
Molecular FormulaC19H12BrF3
Molecular Weight377.20 g/mol
Exact Mass376.01
IUPAC Name1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H12BrF3/c20-19(13-1-7-16(21)8-2-13,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H
InChIKeyDYMCGODRYMABQY-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.20
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene (CID 626724) is 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene is Fc1ccc(C(Br)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene?
The InChIKey is DYMCGODRYMABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF3/c20-19(13-1-7-16(21)8-2-13,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H.
What are the key properties of 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene?
1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene has a molecular weight of 377.20 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 626724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).