2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene

C11H11BrCl2 — CID 63444578

IUPAC2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(C(Br)CC2CC2)c1
InChIInChI=1S/C11H11BrCl2/c12-10(5-7-1-2-7)9-6-8(13)3-4-11(9)14/h3-4,6-7,10H,1-2,5H2
InChIKeyRNATZBGCNVYRPY-UHFFFAOYSA-N
MW294.02 g/mol
LogP5.23
Rot. Bonds3

About 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene

2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene (PubChem CID 63444578) has the molecular formula C11H11BrCl2 and a molecular weight of 294.02 g/mol. Its IUPAC name is 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
PubChem CID63444578
Molecular FormulaC11H11BrCl2
Molecular Weight294.02 g/mol
Exact Mass291.94
IUPAC Name2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(C(Br)CC2CC2)c1
InChIInChI=1S/C11H11BrCl2/c12-10(5-7-1-2-7)9-6-8(13)3-4-11(9)14/h3-4,6-7,10H,1-2,5H2
InChIKeyRNATZBGCNVYRPY-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.02
LogP ≤ 55.23
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

1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
CID 55198146
2-[2-bromo-2-(2,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63444757
[2-cyclopentyl-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105299043
1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
CID 63437413
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
CID 63444637
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
CID 79597680
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
CID 103166063
4-[bromo-(2,5-dichlorophenyl)methyl]oxane
CID 62905706
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
1-(2-bromo-5-chlorophenyl)-2-cyclopropylethanol
CID 112630970
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene?
The IUPAC name of 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene (CID 63444578) is 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene.
What is the SMILES notation for 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene?
The canonical SMILES for 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene is Clc1ccc(Cl)c(C(Br)CC2CC2)c1.
What is the InChIKey of 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene?
The InChIKey is RNATZBGCNVYRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2/c12-10(5-7-1-2-7)9-6-8(13)3-4-11(9)14/h3-4,6-7,10H,1-2,5H2.
What are the key properties of 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene?
2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene has a molecular weight of 294.02 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene is sourced from PubChem (CID 63444578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).