1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene

C14H11Br2F — CID 63542087

IUPAC1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(CC(Br)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H11Br2F/c15-12-3-1-2-11(9-12)14(16)8-10-4-6-13(17)7-5-10/h1-7,9,14H,8H2
InChIKeyVURUKHGEZRWAGP-UHFFFAOYSA-N
MW358.05 g/mol
LogP5.27
Rot. Bonds3

About 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene

1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene (PubChem CID 63542087) has the molecular formula C14H11Br2F and a molecular weight of 358.05 g/mol. Its IUPAC name is 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
PubChem CID63542087
Molecular FormulaC14H11Br2F
Molecular Weight358.05 g/mol
Exact Mass355.92
IUPAC Name1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
SMILESFc1ccc(CC(Br)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H11Br2F/c15-12-3-1-2-11(9-12)14(16)8-10-4-6-13(17)7-5-10/h1-7,9,14H,8H2
InChIKeyVURUKHGEZRWAGP-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.05
LogP ≤ 55.27
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-[1-bromo-2-(4-fluorophenyl)ethyl]-3-propan-2-yloxybenzene
CID 63542603
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
1-bromo-3-(1,2-dibromoethyl)benzene
CID 139746673
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115482997
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
CID 63442669
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461235

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene?
The IUPAC name of 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene (CID 63542087) is 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene is Fc1ccc(CC(Br)c2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene?
The InChIKey is VURUKHGEZRWAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F/c15-12-3-1-2-11(9-12)14(16)8-10-4-6-13(17)7-5-10/h1-7,9,14H,8H2.
What are the key properties of 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene?
1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene has a molecular weight of 358.05 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 63542087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).