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

C15H14BrF — CID 66043262

IUPAC1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
SMILESFc1ccccc1CC(CBr)c1ccccc1
InChIInChI=1S/C15H14BrF/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-9,14H,10-11H2
InChIKeyIUJRZQLDYDEUPZ-UHFFFAOYSA-N
MW293.18 g/mol
LogP4.55
Rot. Bonds4

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

1-(3-bromo-2-phenylpropyl)-2-fluorobenzene (PubChem CID 66043262) has the molecular formula C15H14BrF and a molecular weight of 293.18 g/mol. Its IUPAC name is 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
PubChem CID66043262
Molecular FormulaC15H14BrF
Molecular Weight293.18 g/mol
Exact Mass292.03
IUPAC Name1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
SMILESFc1ccccc1CC(CBr)c1ccccc1
InChIInChI=1S/C15H14BrF/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-9,14H,10-11H2
InChIKeyIUJRZQLDYDEUPZ-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 54.55
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

1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
CID 79435343
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435232
2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol
CID 142864952
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552
1-[2-(bromomethyl)butyl]-2-fluorobenzene
CID 66041853
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
CID 66033899
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2-fluorobenzene
CID 83143186

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene?
The IUPAC name of 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene (CID 66043262) is 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene.
What is the SMILES notation for 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene?
The canonical SMILES for 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene is Fc1ccccc1CC(CBr)c1ccccc1.
What is the InChIKey of 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene?
The InChIKey is IUJRZQLDYDEUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-9,14H,10-11H2.
What are the key properties of 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene?
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene has a molecular weight of 293.18 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-phenylpropyl)-2-fluorobenzene is sourced from PubChem (CID 66043262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).