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

C16H15BrClF — CID 79419241

IUPAC2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
SMILESCc1ccccc1C(CCl)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H15BrClF/c1-11-4-2-3-5-15(11)13(10-18)8-12-6-7-14(19)9-16(12)17/h2-7,9,13H,8,10H2,1H3
InChIKeyHSCXWSVTMYWDKI-UHFFFAOYSA-N
MW341.65 g/mol
LogP5.46
Rot. Bonds4

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

2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene (PubChem CID 79419241) has the molecular formula C16H15BrClF and a molecular weight of 341.65 g/mol. Its IUPAC name is 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
PubChem CID79419241
Molecular FormulaC16H15BrClF
Molecular Weight341.65 g/mol
Exact Mass340.00
IUPAC Name2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
SMILESCc1ccccc1C(CCl)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H15BrClF/c1-11-4-2-3-5-15(11)13(10-18)8-12-6-7-14(19)9-16(12)17/h2-7,9,13H,8,10H2,1H3
InChIKeyHSCXWSVTMYWDKI-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.65
LogP ≤ 55.46
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-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene
CID 79454251
1-[3-chloro-2-(2-methylphenyl)propyl]-3,5-difluorobenzene
CID 105410967
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79448852
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene
CID 79447558
2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
1-chloro-2-[3-chloro-2-(2-methylphenyl)propyl]benzene
CID 79419089
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-ethylpropan-1-amine
CID 79436328
2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
CID 79454612

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene (CID 79419241) is 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene is Cc1ccccc1C(CCl)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene?
The InChIKey is HSCXWSVTMYWDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClF/c1-11-4-2-3-5-15(11)13(10-18)8-12-6-7-14(19)9-16(12)17/h2-7,9,13H,8,10H2,1H3.
What are the key properties of 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene?
2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene has a molecular weight of 341.65 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene is sourced from PubChem (CID 79419241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).