4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene

C15H12BrClF2 — CID 79433235

IUPAC4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
SMILESFc1cccc(C(CCl)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H12BrClF2/c16-13-4-5-15(19)11(7-13)6-12(9-17)10-2-1-3-14(18)8-10/h1-5,7-8,12H,6,9H2
InChIKeyZGKAWVBOAGXIDP-UHFFFAOYSA-N
MW345.61 g/mol
LogP5.29
Rot. Bonds4

About 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene

4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene (PubChem CID 79433235) has the molecular formula C15H12BrClF2 and a molecular weight of 345.61 g/mol. Its IUPAC name is 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
PubChem CID79433235
Molecular FormulaC15H12BrClF2
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Name4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
SMILESFc1cccc(C(CCl)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H12BrClF2/c16-13-4-5-15(19)11(7-13)6-12(9-17)10-2-1-3-14(18)8-10/h1-5,7-8,12H,6,9H2
InChIKeyZGKAWVBOAGXIDP-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'}

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Related Compounds

4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440610
1-[2-(3-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 79432007
4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene
CID 79433512
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
CID 79431465
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene
CID 104846335

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene?
The IUPAC name of 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene (CID 79433235) is 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene is Fc1cccc(C(CCl)Cc2cc(Br)ccc2F)c1.
What is the InChIKey of 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene?
The InChIKey is ZGKAWVBOAGXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2/c16-13-4-5-15(19)11(7-13)6-12(9-17)10-2-1-3-14(18)8-10/h1-5,7-8,12H,6,9H2.
What are the key properties of 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene?
4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene 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 4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene is sourced from PubChem (CID 79433235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).