4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene

C12H13BrF2 — CID 106798665

IUPAC4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene
SMILESCC(Br)C1(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H13BrF2/c1-8(13)12(4-5-12)7-9-2-3-10(14)11(15)6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeySVUUUQGVUXADRH-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.07
Rot. Bonds3

About 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene

4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene (PubChem CID 106798665) has the molecular formula C12H13BrF2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene
PubChem CID106798665
Molecular FormulaC12H13BrF2
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene
SMILESCC(Br)C1(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H13BrF2/c1-8(13)12(4-5-12)7-9-2-3-10(14)11(15)6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeySVUUUQGVUXADRH-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene 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-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 106798566
1-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzene
CID 106798588
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene
CID 107003154
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489
4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
CID 59003395
1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene
CID 177366781
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
CID 82920758
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene?
The IUPAC name of 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene (CID 106798665) is 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene is CC(Br)C1(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene?
The InChIKey is SVUUUQGVUXADRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2/c1-8(13)12(4-5-12)7-9-2-3-10(14)11(15)6-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene?
4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene has a molecular weight of 275.14 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-bromoethyl)cyclopropyl]methyl]-1,2-difluorobenzene is sourced from PubChem (CID 106798665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).