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

C15H13Br2F — CID 63440295

IUPAC1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene
SMILESCCc1ccc(C(Br)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C15H13Br2F/c1-2-10-3-5-11(6-4-10)15(17)13-9-12(18)7-8-14(13)16/h3-9,15H,2H2,1H3
InChIKeyOHUSFUKRYORUBE-UHFFFAOYSA-N
MW372.08 g/mol
LogP5.63
Rot. Bonds3

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

1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene (PubChem CID 63440295) has the molecular formula C15H13Br2F and a molecular weight of 372.08 g/mol. Its IUPAC name is 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene
PubChem CID63440295
Molecular FormulaC15H13Br2F
Molecular Weight372.08 g/mol
Exact Mass369.94
IUPAC Name1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene
SMILESCCc1ccc(C(Br)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C15H13Br2F/c1-2-10-3-5-11(6-4-10)15(17)13-9-12(18)7-8-14(13)16/h3-9,15H,2H2,1H3
InChIKeyOHUSFUKRYORUBE-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.08
LogP ≤ 55.63
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-[bromo-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63437114
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
CID 63439911
2-[bromo-(4-butylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63439662
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 55199070
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
CID 43096393
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
2-[bromo-(2-bromo-5-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879985
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756
1-[bromo-(4-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319679
2-bromo-1-[bromo-(4-tert-butylphenyl)methyl]-4-fluorobenzene
CID 63440057

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene (CID 63440295) is 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene is CCc1ccc(C(Br)c2cc(F)ccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene?
The InChIKey is OHUSFUKRYORUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F/c1-2-10-3-5-11(6-4-10)15(17)13-9-12(18)7-8-14(13)16/h3-9,15H,2H2,1H3.
What are the key properties of 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene?
1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene has a molecular weight of 372.08 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63440295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).