4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene

C12H13Br2F — CID 106798566

IUPAC4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene
SMILESCC(Br)C1(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C12H13Br2F/c1-8(13)12(4-5-12)7-9-6-10(14)2-3-11(9)15/h2-3,6,8H,4-5,7H2,1H3
InChIKeyVEUKNMUSUHZNLI-UHFFFAOYSA-N
MW336.04 g/mol
LogP4.69
Rot. Bonds3

About 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene

4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene (PubChem CID 106798566) has the molecular formula C12H13Br2F and a molecular weight of 336.04 g/mol. Its IUPAC name is 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene
PubChem CID106798566
Molecular FormulaC12H13Br2F
Molecular Weight336.04 g/mol
Exact Mass333.94
IUPAC Name4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene
SMILESCC(Br)C1(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C12H13Br2F/c1-8(13)12(4-5-12)7-9-6-10(14)2-3-11(9)15/h2-3,6,8H,4-5,7H2,1H3
InChIKeyVEUKNMUSUHZNLI-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.04
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-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

2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene
CID 106798672
4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 106798665
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
4-bromo-1-[[1-(1-bromoethyl)cyclopropyl]methyl]-2-nitrobenzene
CID 106798641
[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66023755
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine
CID 66466909
1-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424139
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 66023748
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563405

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene?
The IUPAC name of 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene (CID 106798566) is 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene is CC(Br)C1(Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene?
The InChIKey is VEUKNMUSUHZNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2F/c1-8(13)12(4-5-12)7-9-6-10(14)2-3-11(9)15/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene?
4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene has a molecular weight of 336.04 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene is sourced from PubChem (CID 106798566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).