1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene

C15H13BrClF — CID 79435232

IUPAC1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
SMILESFc1ccc(C(CBr)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H13BrClF/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-8,13H,9-10H2
InChIKeyCPKPZBKPDFFESG-UHFFFAOYSA-N
MW327.62 g/mol
LogP5.20
Rot. Bonds4

About 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene

1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene (PubChem CID 79435232) has the molecular formula C15H13BrClF and a molecular weight of 327.62 g/mol. Its IUPAC name is 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
PubChem CID79435232
Molecular FormulaC15H13BrClF
Molecular Weight327.62 g/mol
Exact Mass325.99
IUPAC Name1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
SMILESFc1ccc(C(CBr)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H13BrClF/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-8,13H,9-10H2
InChIKeyCPKPZBKPDFFESG-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
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-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-methylbenzene
CID 79436619
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
CID 79435343
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
1-bromo-2-[1-bromo-3-(2-chlorophenyl)propan-2-yl]benzene
CID 79454570
3-[3-bromo-2-(4-fluorophenyl)propyl]-1-benzothiophene
CID 79434071
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
CID 79433637
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene?
The IUPAC name of 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene (CID 79435232) is 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene?
The canonical SMILES for 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene is Fc1ccc(C(CBr)Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene?
The InChIKey is CPKPZBKPDFFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-8,13H,9-10H2.
What are the key properties of 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene?
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene has a molecular weight of 327.62 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene is sourced from PubChem (CID 79435232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).