1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene

C14H9Br2Cl2F — CID 105400119

IUPAC1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
SMILESFc1cc(Br)c(Cl)cc1C(Br)Cc1cccc(Cl)c1
InChIInChI=1S/C14H9Br2Cl2F/c15-11(5-8-2-1-3-9(17)4-8)10-6-13(18)12(16)7-14(10)19/h1-4,6-7,11H,5H2
InChIKeyKYNOJNMSYDSUSE-UHFFFAOYSA-N
MW426.94 g/mol
LogP6.57
Rot. Bonds3

About 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene

1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene (PubChem CID 105400119) has the molecular formula C14H9Br2Cl2F and a molecular weight of 426.94 g/mol. Its IUPAC name is 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
PubChem CID105400119
Molecular FormulaC14H9Br2Cl2F
Molecular Weight426.94 g/mol
Exact Mass423.84
IUPAC Name1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
SMILESFc1cc(Br)c(Cl)cc1C(Br)Cc1cccc(Cl)c1
InChIInChI=1S/C14H9Br2Cl2F/c15-11(5-8-2-1-3-9(17)4-8)10-6-13(18)12(16)7-14(10)19/h1-4,6-7,11H,5H2
InChIKeyKYNOJNMSYDSUSE-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.94
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63531253
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050200
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
CID 105399717
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443710
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63529741
1-bromo-4-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105399972
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
CID 105399766
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-4,5-difluorobenzene
CID 107477529

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene?
The IUPAC name of 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene (CID 105400119) is 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene?
The canonical SMILES for 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene is Fc1cc(Br)c(Cl)cc1C(Br)Cc1cccc(Cl)c1.
What is the InChIKey of 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene?
The InChIKey is KYNOJNMSYDSUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2F/c15-11(5-8-2-1-3-9(17)4-8)10-6-13(18)12(16)7-14(10)19/h1-4,6-7,11H,5H2.
What are the key properties of 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene?
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene has a molecular weight of 426.94 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene is sourced from PubChem (CID 105400119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).