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

C16H15BrClF — CID 104846335

IUPAC4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene
SMILESCC(Cc1cc(Br)ccc1F)C(Cl)c1ccccc1
InChIInChI=1S/C16H15BrClF/c1-11(16(18)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)19/h2-8,10-11,16H,9H2,1H3
InChIKeyFITOIYNEUJIAQN-UHFFFAOYSA-N
MW341.65 g/mol
LogP5.75
Rot. Bonds4

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

4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene (PubChem CID 104846335) has the molecular formula C16H15BrClF and a molecular weight of 341.65 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene
PubChem CID104846335
Molecular FormulaC16H15BrClF
Molecular Weight341.65 g/mol
Exact Mass340.00
IUPAC Name4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene
SMILESCC(Cc1cc(Br)ccc1F)C(Cl)c1ccccc1
InChIInChI=1S/C16H15BrClF/c1-11(16(18)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)19/h2-8,10-11,16H,9H2,1H3
InChIKeyFITOIYNEUJIAQN-UHFFFAOYSA-N
XLogP5.75
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 ≤ 55.75
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

3-(5-bromo-2-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846115
4-bromo-1-(3-chloro-2-methyl-3-phenylpropyl)-2-nitrobenzene
CID 114382465
1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 104846458
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995995
1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 115839364
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 43221916
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene?
The IUPAC name of 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene (CID 104846335) is 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene is CC(Cc1cc(Br)ccc1F)C(Cl)c1ccccc1.
What is the InChIKey of 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene?
The InChIKey is FITOIYNEUJIAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClF/c1-11(16(18)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)19/h2-8,10-11,16H,9H2,1H3.
What are the key properties of 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene?
4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene has a molecular weight of 341.65 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene is sourced from PubChem (CID 104846335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).