1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene

C12H14BrCl — CID 107002676

IUPAC1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene
SMILESCC1(C)CC1C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C12H14BrCl/c1-12(2)7-10(12)11(13)8-3-5-9(14)6-4-8/h3-6,10-11H,7H2,1-2H3
InChIKeyVZZFDFMTANEDLB-UHFFFAOYSA-N
MW273.60 g/mol
LogP4.82
Rot. Bonds2

About 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene

1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene (PubChem CID 107002676) has the molecular formula C12H14BrCl and a molecular weight of 273.60 g/mol. Its IUPAC name is 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene
PubChem CID107002676
Molecular FormulaC12H14BrCl
Molecular Weight273.60 g/mol
Exact Mass272.00
IUPAC Name1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene
SMILESCC1(C)CC1C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C12H14BrCl/c1-12(2)7-10(12)11(13)8-3-5-9(14)6-4-8/h3-6,10-11H,7H2,1-2H3
InChIKeyVZZFDFMTANEDLB-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.60
LogP ≤ 54.82
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-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-phenylbenzene
CID 107002682
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-4-chlorobenzene
CID 107003135
carbonic acid;1-chloro-4-[(1R,2S)-1,2-dibromo-1-chloro-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 70574991
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081
1-chloro-4-(dibromomethyl)benzene
CID 3017302
1-[bromo-(2,2-dimethylcyclopropyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107002722
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-3-chlorobenzene
CID 107003146
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene
CID 107003154
1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
CID 63437413
CID 70496086
CID 70496086

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene?
The IUPAC name of 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene (CID 107002676) is 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene.
What is the SMILES notation for 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene?
The canonical SMILES for 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene is CC1(C)CC1C(Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene?
The InChIKey is VZZFDFMTANEDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl/c1-12(2)7-10(12)11(13)8-3-5-9(14)6-4-8/h3-6,10-11H,7H2,1-2H3.
What are the key properties of 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene?
1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene has a molecular weight of 273.60 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,2-dimethylcyclopropyl)methyl]-4-chlorobenzene is sourced from PubChem (CID 107002676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).