1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene

C15H13BrF2O — CID 63443286

IUPAC1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-19-12-6-7-13(15(18)9-12)14(16)8-10-2-4-11(17)5-3-10/h2-7,9,14H,8H2,1H3
InChIKeyLTZWNFKHZXTCHP-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.65
Rot. Bonds4

About 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene

1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene (PubChem CID 63443286) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
PubChem CID63443286
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-19-12-6-7-13(15(18)9-12)14(16)8-10-2-4-11(17)5-3-10/h2-7,9,14H,8H2,1H3
InChIKeyLTZWNFKHZXTCHP-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.65
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-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443710
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 115370103
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61099781
4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284823
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene (CID 63443286) is 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene is COc1ccc(C(Br)Cc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene?
The InChIKey is LTZWNFKHZXTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-19-12-6-7-13(15(18)9-12)14(16)8-10-2-4-11(17)5-3-10/h2-7,9,14H,8H2,1H3.
What are the key properties of 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene?
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene has a molecular weight of 327.17 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 63443286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).