2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride

C11H9Br2ClO — CID 11100269

IUPAC2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
SMILESCC1(C(=O)Cl)C(c2ccccc2)C1(Br)Br
InChIInChI=1S/C11H9Br2ClO/c1-10(9(14)15)8(11(10,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyXQJWCYHBVSZNJS-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.04
Rot. Bonds2

About 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride

2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride (PubChem CID 11100269) has the molecular formula C11H9Br2ClO and a molecular weight of 352.45 g/mol. Its IUPAC name is 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
PubChem CID11100269
Molecular FormulaC11H9Br2ClO
Molecular Weight352.45 g/mol
Exact Mass349.87
IUPAC Name2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
SMILESCC1(C(=O)Cl)C(c2ccccc2)C1(Br)Br
InChIInChI=1S/C11H9Br2ClO/c1-10(9(14)15)8(11(10,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyXQJWCYHBVSZNJS-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride 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

trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
CID 11021731
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
(1S,2S,3S)-2-(4-bromophenyl)-1-fluoro-2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 118237229
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
CID 132530978
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
triethyl 2-chloro-3-phenylcyclopropane-1,1,2-tricarboxylate
CID 12009005
3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine
CID 57146559
methyl (E)-3-[(1R,2S)-2-phenylcyclopropyl]prop-2-enoate
CID 11310192
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride?
The IUPAC name of 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride (CID 11100269) is 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride is CC1(C(=O)Cl)C(c2ccccc2)C1(Br)Br.
What is the InChIKey of 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride?
The InChIKey is XQJWCYHBVSZNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2ClO/c1-10(9(14)15)8(11(10,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride?
2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride has a molecular weight of 352.45 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-methyl-3-phenylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 11100269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).