1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene

C15H12BrCl2F — CID 114862057

IUPAC1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1CC(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrCl2F/c16-9-12(10-1-4-13(17)5-2-10)7-11-3-6-14(18)8-15(11)19/h1-6,8,12H,7,9H2
InChIKeyKNIMHDRAHFYHCF-UHFFFAOYSA-N
MW362.07 g/mol
LogP5.85
Rot. Bonds4

About 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene

1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene (PubChem CID 114862057) has the molecular formula C15H12BrCl2F and a molecular weight of 362.07 g/mol. Its IUPAC name is 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
PubChem CID114862057
Molecular FormulaC15H12BrCl2F
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1CC(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrCl2F/c16-9-12(10-1-4-13(17)5-2-10)7-11-3-6-14(18)8-15(11)19/h1-6,8,12H,7,9H2
InChIKeyKNIMHDRAHFYHCF-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.07
LogP ≤ 55.85
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-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
CID 79435343
4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79435639
4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
CID 79436533
1-[2-(bromomethyl)-3-methylbutyl]-4-chloro-2-fluorobenzene
CID 114862007
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
CID 79442407
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
CID 79433637
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene (CID 114862057) is 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1CC(CBr)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene?
The InChIKey is KNIMHDRAHFYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2F/c16-9-12(10-1-4-13(17)5-2-10)7-11-3-6-14(18)8-15(11)19/h1-6,8,12H,7,9H2.
What are the key properties of 1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene?
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene has a molecular weight of 362.07 g/mol, XLogP of 5.85, 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-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 114862057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).