1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene

C14H10Br3F — CID 114560967

IUPAC1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene
SMILESFc1cccc(Br)c1C(Br)Cc1ccc(Br)cc1
InChIInChI=1S/C14H10Br3F/c15-10-6-4-9(5-7-10)8-12(17)14-11(16)2-1-3-13(14)18/h1-7,12H,8H2
InChIKeyMOLNYBMMKWSZTI-UHFFFAOYSA-N
MW436.94 g/mol
LogP6.03
Rot. Bonds3

About 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene

1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene (PubChem CID 114560967) has the molecular formula C14H10Br3F and a molecular weight of 436.94 g/mol. Its IUPAC name is 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene
PubChem CID114560967
Molecular FormulaC14H10Br3F
Molecular Weight436.94 g/mol
Exact Mass433.83
IUPAC Name1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene
SMILESFc1cccc(Br)c1C(Br)Cc1ccc(Br)cc1
InChIInChI=1S/C14H10Br3F/c15-10-6-4-9(5-7-10)8-12(17)14-11(16)2-1-3-13(14)18/h1-7,12H,8H2
InChIKeyMOLNYBMMKWSZTI-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 56.03
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

2-[2-bromo-2-(2-bromo-6-fluorophenyl)ethyl]-5-methylpyridine
CID 114561365
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
CID 43695741
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304095
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene
CID 63531404
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
2-[2-bromo-2-(2-bromo-6-fluorophenyl)ethyl]-1,3-benzoxazole
CID 114561359
2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
CID 81462158
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461235
N-[1-(2-bromo-6-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114559918

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene?
The IUPAC name of 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene (CID 114560967) is 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene is Fc1cccc(Br)c1C(Br)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene?
The InChIKey is MOLNYBMMKWSZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3F/c15-10-6-4-9(5-7-10)8-12(17)14-11(16)2-1-3-13(14)18/h1-7,12H,8H2.
What are the key properties of 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene?
1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene has a molecular weight of 436.94 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene is sourced from PubChem (CID 114560967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).