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

C15H13Br2F — CID 63439911

IUPAC4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
SMILESCCc1ccc(C(Br)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H13Br2F/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
InChIKeyUGLITFBSYRSRSK-UHFFFAOYSA-N
MW372.08 g/mol
LogP5.63
Rot. Bonds3

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

4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene (PubChem CID 63439911) has the molecular formula C15H13Br2F and a molecular weight of 372.08 g/mol. Its IUPAC name is 4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
PubChem CID63439911
Molecular FormulaC15H13Br2F
Molecular Weight372.08 g/mol
Exact Mass369.94
IUPAC Name4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
SMILESCCc1ccc(C(Br)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H13Br2F/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
InChIKeyUGLITFBSYRSRSK-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

4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
CID 55200086
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene
CID 63440295
1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63437391
4-bromo-1-(4-ethylphenyl)sulfanyl-2-fluorobenzene
CID 91877705
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221510
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
[(4-bromo-2-fluorophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105280828
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene (CID 63439911) is 4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene is CCc1ccc(C(Br)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene?
The InChIKey is UGLITFBSYRSRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F/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-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene?
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-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 4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 63439911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).