(1-bromo-2-chloro-1-iodoethyl)benzene

C8H7BrClI — CID 140619988

IUPAC(1-bromo-2-chloro-1-iodoethyl)benzene
SMILESClCC(Br)(I)c1ccccc1
InChIInChI=1S/C8H7BrClI/c9-8(11,6-10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyUKEZNDYMYUEZIM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.91
Rot. Bonds2

About (1-bromo-2-chloro-1-iodoethyl)benzene

(1-bromo-2-chloro-1-iodoethyl)benzene (PubChem CID 140619988) has the molecular formula C8H7BrClI and a molecular weight of 345.41 g/mol. Its IUPAC name is (1-bromo-2-chloro-1-iodoethyl)benzene.

Molecular Properties

Compound Name(1-bromo-2-chloro-1-iodoethyl)benzene
PubChem CID140619988
Molecular FormulaC8H7BrClI
Molecular Weight345.41 g/mol
Exact Mass343.85
IUPAC Name(1-bromo-2-chloro-1-iodoethyl)benzene
SMILESClCC(Br)(I)c1ccccc1
InChIInChI=1S/C8H7BrClI/c9-8(11,6-10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyUKEZNDYMYUEZIM-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[bromo(diiodo)methyl]benzene
CID 152582923
1,1,2-tribromoethylbenzene
CID 21124765
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
3-(chloromethyl)pentan-3-ylbenzene
CID 65439114
dichloro-(1-chloro-2-phenylpropan-2-yl)-methylsilane
CID 69246763
[(2R)-3-chloro-2-hydroxy-2-phenylpropyl]azanium chloride
CID 134964883
1-chloro-2-[iodo(diphenyl)methyl]benzene
CID 143164382
(1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene
CID 154603995
(1R)-1-iodo-1-phenylethanamine
CID 68727841
1,1,2,2,2-pentabromoethylbenzene
CID 159349505
tert-butylbenzene;chloromethane;ethane
CID 91149652
(1-bromo-1-phenylethyl)benzene
CID 19019197

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-chloro-1-iodoethyl)benzene?
The IUPAC name of (1-bromo-2-chloro-1-iodoethyl)benzene (CID 140619988) is (1-bromo-2-chloro-1-iodoethyl)benzene.
What is the SMILES notation for (1-bromo-2-chloro-1-iodoethyl)benzene?
The canonical SMILES for (1-bromo-2-chloro-1-iodoethyl)benzene is ClCC(Br)(I)c1ccccc1.
What is the InChIKey of (1-bromo-2-chloro-1-iodoethyl)benzene?
The InChIKey is UKEZNDYMYUEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClI/c9-8(11,6-10)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of (1-bromo-2-chloro-1-iodoethyl)benzene?
(1-bromo-2-chloro-1-iodoethyl)benzene has a molecular weight of 345.41 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-chloro-1-iodoethyl)benzene is sourced from PubChem (CID 140619988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).