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

C16H15BrClF — CID 79743215

IUPAC2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene
SMILESCC(C)(c1ccccc1)C(Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H15BrClF/c1-16(2,12-6-4-3-5-7-12)15(18)11-8-9-14(19)13(17)10-11/h3-10,15H,1-2H3
InChIKeyNGKNQAWRZIQEPB-UHFFFAOYSA-N
MW341.65 g/mol
LogP5.85
Rot. Bonds3

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

2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene (PubChem CID 79743215) has the molecular formula C16H15BrClF and a molecular weight of 341.65 g/mol. Its IUPAC name is 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene
PubChem CID79743215
Molecular FormulaC16H15BrClF
Molecular Weight341.65 g/mol
Exact Mass340.00
IUPAC Name2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene
SMILESCC(C)(c1ccccc1)C(Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H15BrClF/c1-16(2,12-6-4-3-5-7-12)15(18)11-8-9-14(19)13(17)10-11/h3-10,15H,1-2H3
InChIKeyNGKNQAWRZIQEPB-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.65
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

4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene
CID 63427409
1-bromo-2-chloro-4-(1-chloro-2-methyl-2-phenylpropyl)-5-fluorobenzene
CID 105399802
1-bromo-5-(1-chloro-2-methyl-2-phenylpropyl)-2-fluoro-4-methoxybenzene
CID 103396341
2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene
CID 66471050
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
CID 103303605
2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346
2-bromo-1-fluoro-4-(1-fluoroethyl)benzene
CID 84686324
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene
CID 63433916
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene
CID 63427388
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene (CID 79743215) is 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene is CC(C)(c1ccccc1)C(Cl)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene?
The InChIKey is NGKNQAWRZIQEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClF/c1-16(2,12-6-4-3-5-7-12)15(18)11-8-9-14(19)13(17)10-11/h3-10,15H,1-2H3.
What are the key properties of 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene?
2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene has a molecular weight of 341.65 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene is sourced from PubChem (CID 79743215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).