4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene

C15H13BrClF — CID 55198514

IUPAC4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene
SMILESCCc1ccc(C(Cl)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H13BrClF/c1-2-10-3-5-11(6-4-10)15(17)13-8-7-12(16)9-14(13)18/h3-9,15H,2H2,1H3
InChIKeyCIDLBNPPNLGBCZ-UHFFFAOYSA-N
MW327.62 g/mol
LogP5.48
Rot. Bonds3

About 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene

4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene (PubChem CID 55198514) has the molecular formula C15H13BrClF and a molecular weight of 327.62 g/mol. Its IUPAC name is 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene
PubChem CID55198514
Molecular FormulaC15H13BrClF
Molecular Weight327.62 g/mol
Exact Mass325.99
IUPAC Name4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene
SMILESCCc1ccc(C(Cl)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H13BrClF/c1-2-10-3-5-11(6-4-10)15(17)13-8-7-12(16)9-14(13)18/h3-9,15H,2H2,1H3
InChIKeyCIDLBNPPNLGBCZ-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.62
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene (CID 55198514) is 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene is CCc1ccc(C(Cl)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene?
The InChIKey is CIDLBNPPNLGBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF/c1-2-10-3-5-11(6-4-10)15(17)13-8-7-12(16)9-14(13)18/h3-9,15H,2H2,1H3.
What are the key properties of 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene?
4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene has a molecular weight of 327.62 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[chloro-(4-ethylphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 55198514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).