1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene

C15H13Br2F — CID 55192636

IUPAC1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
SMILESFc1ccc(Br)c(CCC(Br)c2ccccc2)c1
InChIInChI=1S/C15H13Br2F/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(18)7-9-15(12)17/h1-5,7,9-10,14H,6,8H2
InChIKeyDXZKWTWJSXKCJB-UHFFFAOYSA-N
MW372.07 g/mol
LogP5.66
Rot. Bonds4

About 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene

1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene (PubChem CID 55192636) has the molecular formula C15H13Br2F and a molecular weight of 372.07 g/mol. Its IUPAC name is 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
PubChem CID55192636
Molecular FormulaC15H13Br2F
Molecular Weight372.07 g/mol
Exact Mass369.94
IUPAC Name1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
SMILESFc1ccc(Br)c(CCC(Br)c2ccccc2)c1
InChIInChI=1S/C15H13Br2F/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(18)7-9-15(12)17/h1-5,7,9-10,14H,6,8H2
InChIKeyDXZKWTWJSXKCJB-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.07
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
CID 55192833
2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene
CID 103049485
4-(2-bromo-5-fluorophenyl)-2-methylbutanal
CID 64664097
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
CID 65149561
3-(2-bromo-5-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846213
1-bromo-4-fluoro-2-(2-iodoethyl)benzene
CID 129177229
1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
CID 65149860
N-[(2-bromo-5-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63452332
3-(2-bromo-5-fluorophenyl)propanal
CID 53434280
1-bromo-4-(3-bromo-3-phenylpropyl)benzene
CID 63471599
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene?
The IUPAC name of 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene (CID 55192636) is 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene is Fc1ccc(Br)c(CCC(Br)c2ccccc2)c1.
What is the InChIKey of 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene?
The InChIKey is DXZKWTWJSXKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(18)7-9-15(12)17/h1-5,7,9-10,14H,6,8H2.
What are the key properties of 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene?
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene has a molecular weight of 372.07 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene is sourced from PubChem (CID 55192636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).