4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene

C10H9BrClF — CID 81350329

IUPAC4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene
SMILESFc1cc(C2CC2CBr)ccc1Cl
InChIInChI=1S/C10H9BrClF/c11-5-7-3-8(7)6-1-2-9(12)10(13)4-6/h1-2,4,7-8H,3,5H2
InChIKeyWRKCGMRKXMHEBF-UHFFFAOYSA-N
MW263.54 g/mol
LogP3.98
Rot. Bonds2

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

4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene (PubChem CID 81350329) has the molecular formula C10H9BrClF and a molecular weight of 263.54 g/mol. Its IUPAC name is 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene
PubChem CID81350329
Molecular FormulaC10H9BrClF
Molecular Weight263.54 g/mol
Exact Mass261.96
IUPAC Name4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene
SMILESFc1cc(C2CC2CBr)ccc1Cl
InChIInChI=1S/C10H9BrClF/c11-5-7-3-8(7)6-1-2-9(12)10(13)4-6/h1-2,4,7-8H,3,5H2
InChIKeyWRKCGMRKXMHEBF-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene 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

4-[2-(bromomethyl)cyclopropyl]-2-chloro-1-fluorobenzene
CID 81351147
N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62714592
4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene
CID 81358874
1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene
CID 166607377
1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 81358226
N-[[2-(3-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 81166279
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
CID 94556817
1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene
CID 81351751
2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 19770015
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene?
The IUPAC name of 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene (CID 81350329) is 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene is Fc1cc(C2CC2CBr)ccc1Cl.
What is the InChIKey of 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene?
The InChIKey is WRKCGMRKXMHEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF/c11-5-7-3-8(7)6-1-2-9(12)10(13)4-6/h1-2,4,7-8H,3,5H2.
What are the key properties of 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene?
4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene has a molecular weight of 263.54 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene is sourced from PubChem (CID 81350329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).