2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene

C11H10BrClF2 — CID 118117042

IUPAC2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene
SMILESFC(F)C1(c2ccc(Cl)cc2CBr)CC1
InChIInChI=1S/C11H10BrClF2/c12-6-7-5-8(13)1-2-9(7)11(3-4-11)10(14)15/h1-2,5,10H,3-4,6H2
InChIKeyPJUDWNGLMIWKNW-UHFFFAOYSA-N
MW295.55 g/mol
LogP4.53
Rot. Bonds3

About 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene

2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene (PubChem CID 118117042) has the molecular formula C11H10BrClF2 and a molecular weight of 295.55 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene
PubChem CID118117042
Molecular FormulaC11H10BrClF2
Molecular Weight295.55 g/mol
Exact Mass293.96
IUPAC Name2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene
SMILESFC(F)C1(c2ccc(Cl)cc2CBr)CC1
InChIInChI=1S/C11H10BrClF2/c12-6-7-5-8(13)1-2-9(7)11(3-4-11)10(14)15/h1-2,5,10H,3-4,6H2
InChIKeyPJUDWNGLMIWKNW-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene 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 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene (CID 118117042) is 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene is FC(F)C1(c2ccc(Cl)cc2CBr)CC1.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene?
The InChIKey is PJUDWNGLMIWKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF2/c12-6-7-5-8(13)1-2-9(7)11(3-4-11)10(14)15/h1-2,5,10H,3-4,6H2.
What are the key properties of 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene?
2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene has a molecular weight of 295.55 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 118117042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).