4-(2-bromoethyl)-2-fluoro-1-propylbenzene

C11H14BrF — CID 19988249

IUPAC4-(2-bromoethyl)-2-fluoro-1-propylbenzene
SMILESCCCc1ccc(CCBr)cc1F
InChIInChI=1S/C11H14BrF/c1-2-3-10-5-4-9(6-7-12)8-11(10)13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyZQJYYDCBQQEZQA-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.72
Rot. Bonds4

About 4-(2-bromoethyl)-2-fluoro-1-propylbenzene

4-(2-bromoethyl)-2-fluoro-1-propylbenzene (PubChem CID 19988249) has the molecular formula C11H14BrF and a molecular weight of 245.13 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2-fluoro-1-propylbenzene.

Molecular Properties

Compound Name4-(2-bromoethyl)-2-fluoro-1-propylbenzene
PubChem CID19988249
Molecular FormulaC11H14BrF
Molecular Weight245.13 g/mol
Exact Mass244.03
IUPAC Name4-(2-bromoethyl)-2-fluoro-1-propylbenzene
SMILESCCCc1ccc(CCBr)cc1F
InChIInChI=1S/C11H14BrF/c1-2-3-10-5-4-9(6-7-12)8-11(10)13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyZQJYYDCBQQEZQA-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(2-bromoethyl)-2-fluoro-1-propylbenzene 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-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
CID 18513410
1,8,9,9,10,10-hexafluoro-2-[2-(2-fluoro-4-pentylphenyl)ethyl]-7-propylphenanthrene
CID 88552688
1-(bromomethyl)-4-ethyl-2-fluorobenzene
CID 91883092
3-fluoro-4-propylbenzaldehyde
CID 88903432
1,2-difluoro-4-propylbenzene;methane
CID 160697343
4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane
CID 137327923
1-fluoro-2-[2-(2-fluoro-4-propylphenyl)ethyl]-3-iodobenzene
CID 86196403
4-(2-bromoethyl)-2-fluoro-1-methylsulfonylbenzene
CID 174530184
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685
ethyl formate;(3-fluoro-4-propylphenyl)methanol
CID 144732330
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-2-fluoro-1-propylbenzene?
The IUPAC name of 4-(2-bromoethyl)-2-fluoro-1-propylbenzene (CID 19988249) is 4-(2-bromoethyl)-2-fluoro-1-propylbenzene.
What is the SMILES notation for 4-(2-bromoethyl)-2-fluoro-1-propylbenzene?
The canonical SMILES for 4-(2-bromoethyl)-2-fluoro-1-propylbenzene is CCCc1ccc(CCBr)cc1F.
What is the InChIKey of 4-(2-bromoethyl)-2-fluoro-1-propylbenzene?
The InChIKey is ZQJYYDCBQQEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF/c1-2-3-10-5-4-9(6-7-12)8-11(10)13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 4-(2-bromoethyl)-2-fluoro-1-propylbenzene?
4-(2-bromoethyl)-2-fluoro-1-propylbenzene has a molecular weight of 245.13 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2-fluoro-1-propylbenzene is sourced from PubChem (CID 19988249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).