1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene

C15H12BrClF2 — CID 105410987

IUPAC1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene
SMILESFc1cc(F)cc(CC(CBr)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H12BrClF2/c16-9-12(11-2-1-3-13(17)7-11)4-10-5-14(18)8-15(19)6-10/h1-3,5-8,12H,4,9H2
InChIKeyQMHYLSHRKVRAON-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.34
Rot. Bonds4

About 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene

1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene (PubChem CID 105410987) has the molecular formula C15H12BrClF2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene
PubChem CID105410987
Molecular FormulaC15H12BrClF2
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Name1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene
SMILESFc1cc(F)cc(CC(CBr)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H12BrClF2/c16-9-12(11-2-1-3-13(17)7-11)4-10-5-14(18)8-15(19)6-10/h1-3,5-8,12H,4,9H2
InChIKeyQMHYLSHRKVRAON-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.61
LogP ≤ 55.34
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-(3-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 79432003
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-(trifluoromethyl)benzene
CID 79432715
1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene
CID 107310833
2-[3-bromo-2-(3-chlorophenyl)propyl]-5-chlorothiophene
CID 79430000
2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822
3-bromo-2-[3-bromo-2-(3-chlorophenyl)propyl]thiophene
CID 79432265
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 103041999
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
3-[3-bromo-2-(3-chlorophenyl)propyl]-1-cyclopentylpyrazole
CID 79430885
1-[3-bromo-2-(3-fluorophenyl)propyl]-2-chloro-4-methylbenzene
CID 106870715

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene?
The IUPAC name of 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene (CID 105410987) is 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene is Fc1cc(F)cc(CC(CBr)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene?
The InChIKey is QMHYLSHRKVRAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2/c16-9-12(11-2-1-3-13(17)7-11)4-10-5-14(18)8-15(19)6-10/h1-3,5-8,12H,4,9H2.
What are the key properties of 1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene?
1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene has a molecular weight of 345.61 g/mol, XLogP of 5.34, 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-(3-chlorophenyl)propyl]-3,5-difluorobenzene is sourced from PubChem (CID 105410987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).