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

C15H13BrClF — CID 103049485

IUPAC2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene
SMILESFc1ccc(Cl)cc1CCC(Br)c1ccccc1
InChIInChI=1S/C15H13BrClF/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(17)7-9-15(12)18/h1-5,7,9-10,14H,6,8H2
InChIKeyDVGWXQCBVIYGHV-UHFFFAOYSA-N
MW327.62 g/mol
LogP5.55
Rot. Bonds4

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

2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene (PubChem CID 103049485) has the molecular formula C15H13BrClF and a molecular weight of 327.62 g/mol. Its IUPAC name is 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene.

Molecular Properties

Compound Name2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene
PubChem CID103049485
Molecular FormulaC15H13BrClF
Molecular Weight327.62 g/mol
Exact Mass325.99
IUPAC Name2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene
SMILESFc1ccc(Cl)cc1CCC(Br)c1ccccc1
InChIInChI=1S/C15H13BrClF/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(17)7-9-15(12)18/h1-5,7,9-10,14H,6,8H2
InChIKeyDVGWXQCBVIYGHV-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.62
LogP ≤ 55.55
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

2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
CID 55192833
1-(4-bromo-4-phenylbutyl)-4-chloro-2-fluorobenzene
CID 114860167
4-(5-chloro-2-fluorophenyl)-2-phenylbutan-1-amine
CID 103051753
1-(3-bromo-3-phenylpropyl)-4-chlorobenzene
CID 63472364
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636
2-(3-bromo-3-phenylpropyl)-1-fluoro-3,5-dimethylbenzene
CID 106882583
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine
CID 103049191
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-ol
CID 103049445
4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 64505603

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene?
The IUPAC name of 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene (CID 103049485) is 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene.
What is the SMILES notation for 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene?
The canonical SMILES for 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene is Fc1ccc(Cl)cc1CCC(Br)c1ccccc1.
What is the InChIKey of 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene?
The InChIKey is DVGWXQCBVIYGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF/c16-14(11-4-2-1-3-5-11)8-6-12-10-13(17)7-9-15(12)18/h1-5,7,9-10,14H,6,8H2.
What are the key properties of 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene?
2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene has a molecular weight of 327.62 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-3-phenylpropyl)-4-chloro-1-fluorobenzene is sourced from PubChem (CID 103049485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).