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

C14H10Br2ClF — CID 81461930

IUPAC1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
SMILESFc1cccc(C(Br)Cc2cccc(Br)c2)c1Cl
InChIInChI=1S/C14H10Br2ClF/c15-10-4-1-3-9(7-10)8-12(16)11-5-2-6-13(18)14(11)17/h1-7,12H,8H2
InChIKeyDJRBCJFQDSEYAS-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.92
Rot. Bonds3

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

1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene (PubChem CID 81461930) has the molecular formula C14H10Br2ClF and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
PubChem CID81461930
Molecular FormulaC14H10Br2ClF
Molecular Weight392.49 g/mol
Exact Mass389.88
IUPAC Name1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
SMILESFc1cccc(C(Br)Cc2cccc(Br)c2)c1Cl
InChIInChI=1S/C14H10Br2ClF/c15-10-4-1-3-9(7-10)8-12(16)11-5-2-6-13(18)14(11)17/h1-7,12H,8H2
InChIKeyDJRBCJFQDSEYAS-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.92
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-(3,4-difluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461470
2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63531253
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-4,5-difluorobenzene
CID 107477529
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461235
3-[2-bromo-2-(2-chloro-3-fluorophenyl)ethyl]thiophene
CID 81462005
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,5-dichlorothiophene
CID 55199742
1-[1-bromo-2-(4-nitrophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461161
1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene
CID 63531588
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105400119

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene?
The IUPAC name of 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene (CID 81461930) is 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene?
The canonical SMILES for 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene is Fc1cccc(C(Br)Cc2cccc(Br)c2)c1Cl.
What is the InChIKey of 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene?
The InChIKey is DJRBCJFQDSEYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClF/c15-10-4-1-3-9(7-10)8-12(16)11-5-2-6-13(18)14(11)17/h1-7,12H,8H2.
What are the key properties of 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene?
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene has a molecular weight of 392.49 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene is sourced from PubChem (CID 81461930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).