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

C15H13Br2FO — CID 55200086

IUPAC4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
SMILESCCOc1ccc(C(Br)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H13Br2FO/c1-2-19-12-6-3-10(4-7-12)15(17)13-8-5-11(16)9-14(13)18/h3-9,15H,2H2,1H3
InChIKeyKGFLTSAPQJOFIX-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.47
Rot. Bonds4

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

4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene (PubChem CID 55200086) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
PubChem CID55200086
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
SMILESCCOc1ccc(C(Br)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H13Br2FO/c1-2-19-12-6-3-10(4-7-12)15(17)13-8-5-11(16)9-14(13)18/h3-9,15H,2H2,1H3
InChIKeyKGFLTSAPQJOFIX-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481879
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
CID 63437055
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
CID 63439911
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
4-[bromo-(4-ethoxyphenyl)methyl]-2-fluoro-1-methylbenzene
CID 63437544
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
CID 55199898
2,5-dibromo-3-[bromo-(4-ethoxyphenyl)methyl]thiophene
CID 63442944
2-[bromo-(4-ethoxyphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880050

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene (CID 55200086) is 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene is CCOc1ccc(C(Br)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene?
The InChIKey is KGFLTSAPQJOFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c1-2-19-12-6-3-10(4-7-12)15(17)13-8-5-11(16)9-14(13)18/h3-9,15H,2H2,1H3.
What are the key properties of 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene?
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene has a molecular weight of 388.07 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 55200086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).