bis(1-bromocyclopropyl)methanone

C7H8Br2O — CID 12567934

IUPACbis(1-bromocyclopropyl)methanone
SMILESO=C(C1(Br)CC1)C1(Br)CC1
InChIInChI=1S/C7H8Br2O/c8-6(1-2-6)5(10)7(9)3-4-7/h1-4H2
InChIKeyOLDLFQKALZWZOK-UHFFFAOYSA-N
MW267.95 g/mol
LogP2.41
Rot. Bonds2

About bis(1-bromocyclopropyl)methanone

bis(1-bromocyclopropyl)methanone (PubChem CID 12567934) has the molecular formula C7H8Br2O and a molecular weight of 267.95 g/mol. Its IUPAC name is bis(1-bromocyclopropyl)methanone.

Molecular Properties

Compound Namebis(1-bromocyclopropyl)methanone
PubChem CID12567934
Molecular FormulaC7H8Br2O
Molecular Weight267.95 g/mol
Exact Mass265.89
IUPAC Namebis(1-bromocyclopropyl)methanone
SMILESO=C(C1(Br)CC1)C1(Br)CC1
InChIInChI=1S/C7H8Br2O/c8-6(1-2-6)5(10)7(9)3-4-7/h1-4H2
InChIKeyOLDLFQKALZWZOK-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.95
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(1-bromocyclopropyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-bromocyclopropyl)methanone?
The IUPAC name of bis(1-bromocyclopropyl)methanone (CID 12567934) is bis(1-bromocyclopropyl)methanone.
What is the SMILES notation for bis(1-bromocyclopropyl)methanone?
The canonical SMILES for bis(1-bromocyclopropyl)methanone is O=C(C1(Br)CC1)C1(Br)CC1.
What is the InChIKey of bis(1-bromocyclopropyl)methanone?
The InChIKey is OLDLFQKALZWZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2O/c8-6(1-2-6)5(10)7(9)3-4-7/h1-4H2.
What are the key properties of bis(1-bromocyclopropyl)methanone?
bis(1-bromocyclopropyl)methanone has a molecular weight of 267.95 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-bromocyclopropyl)methanone is sourced from PubChem (CID 12567934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).