1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene

C11H11BrF2 — CID 81357701

IUPAC1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene
SMILESCC1(c2ccc(F)cc2F)CC1CBr
InChIInChI=1S/C11H11BrF2/c1-11(5-7(11)6-12)9-3-2-8(13)4-10(9)14/h2-4,7H,5-6H2,1H3
InChIKeyCQHHUPPQEUQHOZ-UHFFFAOYSA-N
MW261.11 g/mol
LogP3.64
Rot. Bonds2

About 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene

1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene (PubChem CID 81357701) has the molecular formula C11H11BrF2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene
PubChem CID81357701
Molecular FormulaC11H11BrF2
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene
SMILESCC1(c2ccc(F)cc2F)CC1CBr
InChIInChI=1S/C11H11BrF2/c1-11(5-7(11)6-12)9-3-2-8(13)4-10(9)14/h2-4,7H,5-6H2,1H3
InChIKeyCQHHUPPQEUQHOZ-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene 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 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene (CID 81357701) is 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene is CC1(c2ccc(F)cc2F)CC1CBr.
What is the InChIKey of 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene?
The InChIKey is CQHHUPPQEUQHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2/c1-11(5-7(11)6-12)9-3-2-8(13)4-10(9)14/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene?
1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene has a molecular weight of 261.11 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-1-methylcyclopropyl]-2,4-difluorobenzene is sourced from PubChem (CID 81357701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).