1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene

C15H12BrClF2 — CID 79432007

IUPAC1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
SMILESFc1ccc(CC(CCl)c2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H12BrClF2/c16-13-3-1-2-10(7-13)12(9-17)6-11-4-5-14(18)8-15(11)19/h1-5,7-8,12H,6,9H2
InChIKeyIUHOQIJBFHPWJO-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.29
Rot. Bonds4

About 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene

1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene (PubChem CID 79432007) has the molecular formula C15H12BrClF2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
PubChem CID79432007
Molecular FormulaC15H12BrClF2
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Name1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
SMILESFc1ccc(CC(CCl)c2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H12BrClF2/c16-13-3-1-2-10(7-13)12(9-17)6-11-4-5-14(18)8-15(11)19/h1-5,7-8,12H,6,9H2
InChIKeyIUHOQIJBFHPWJO-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.61
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-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

4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene
CID 79433512
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
CID 79433235
2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 114349841
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 79417400
1-[(3-bromophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433564
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
CID 79431465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene (CID 79432007) is 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene is Fc1ccc(CC(CCl)c2cccc(Br)c2)c(F)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene?
The InChIKey is IUHOQIJBFHPWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2/c16-13-3-1-2-10(7-13)12(9-17)6-11-4-5-14(18)8-15(11)19/h1-5,7-8,12H,6,9H2.
What are the key properties of 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene?
1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene has a molecular weight of 345.61 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene is sourced from PubChem (CID 79432007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).