3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide

C8H9Br3O — CID 54565449

IUPAC3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide
SMILESCC1(C)C(C=C(Br)Br)C1C(=O)Br
InChIInChI=1S/C8H9Br3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
InChIKeyZTMNCUNAWONUPB-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.81
Rot. Bonds2

About 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide

3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide (PubChem CID 54565449) has the molecular formula C8H9Br3O and a molecular weight of 360.87 g/mol. Its IUPAC name is 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide.

Molecular Properties

Compound Name3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide
PubChem CID54565449
Molecular FormulaC8H9Br3O
Molecular Weight360.87 g/mol
Exact Mass357.82
IUPAC Name3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide
SMILESCC1(C)C(C=C(Br)Br)C1C(=O)Br
InChIInChI=1S/C8H9Br3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
InChIKeyZTMNCUNAWONUPB-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 22827326
cyano 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 174986787
cis-naphthalen-1-yl (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 27210138
(2S,3S,4S,5R)-6-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154699972
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N,N,2,2-tetramethylcyclopropane-1-carboxamide
CID 125314568
cis-(3-phenoxyphenyl) (1R,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54340914
cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590
CID 170844573
CID 170844573
cis-(1S,3S)-3-(2,2-diaminoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 141128564
trans-(2,6-difluoro-3-iodophenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 89179680
trans-(3-fluorophenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 102061024

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide?
The IUPAC name of 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide (CID 54565449) is 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide.
What is the SMILES notation for 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide?
The canonical SMILES for 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide is CC1(C)C(C=C(Br)Br)C1C(=O)Br.
What is the InChIKey of 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide?
The InChIKey is ZTMNCUNAWONUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3.
What are the key properties of 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide?
3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide has a molecular weight of 360.87 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl bromide is sourced from PubChem (CID 54565449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).