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

C15H12Br2F2 — CID 79435639

IUPAC4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
SMILESFc1ccc(C(CBr)Cc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H12Br2F2/c16-9-12(10-2-5-14(18)6-3-10)7-11-1-4-13(17)8-15(11)19/h1-6,8,12H,7,9H2
InChIKeyLPNIXXQFMZJBGK-UHFFFAOYSA-N
MW390.07 g/mol
LogP5.45
Rot. Bonds4

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

4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene (PubChem CID 79435639) has the molecular formula C15H12Br2F2 and a molecular weight of 390.07 g/mol. Its IUPAC name is 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
PubChem CID79435639
Molecular FormulaC15H12Br2F2
Molecular Weight390.07 g/mol
Exact Mass387.93
IUPAC Name4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
SMILESFc1ccc(C(CBr)Cc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H12Br2F2/c16-9-12(10-2-5-14(18)6-3-10)7-11-1-4-13(17)8-15(11)19/h1-6,8,12H,7,9H2
InChIKeyLPNIXXQFMZJBGK-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.07
LogP ≤ 55.45
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-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
CID 79436533
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79436831
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435232
4-bromo-1-[2-(3-bromophenyl)-3-chloropropyl]-2-fluorobenzene
CID 79433512
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347202
4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 55027326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene (CID 79435639) is 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene is Fc1ccc(C(CBr)Cc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene?
The InChIKey is LPNIXXQFMZJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2/c16-9-12(10-2-5-14(18)6-3-10)7-11-1-4-13(17)8-15(11)19/h1-6,8,12H,7,9H2.
What are the key properties of 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene?
4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene has a molecular weight of 390.07 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene is sourced from PubChem (CID 79435639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).