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

C15H11Br2ClF2 — CID 106273846

IUPAC1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1CC(CCl)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2ClF2/c16-11-3-1-9(2-4-11)10(8-18)7-12-14(19)6-5-13(17)15(12)20/h1-6,10H,7-8H2
InChIKeyISIHZJQCDYEMBF-UHFFFAOYSA-N
MW424.51 g/mol
LogP6.05
Rot. Bonds4

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

1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene (PubChem CID 106273846) has the molecular formula C15H11Br2ClF2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
PubChem CID106273846
Molecular FormulaC15H11Br2ClF2
Molecular Weight424.51 g/mol
Exact Mass421.89
IUPAC Name1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1CC(CCl)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2ClF2/c16-11-3-1-9(2-4-11)10(8-18)7-12-14(19)6-5-13(17)15(12)20/h1-6,10H,7-8H2
InChIKeyISIHZJQCDYEMBF-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
CID 106273769
3-(3-bromo-2,6-difluorophenyl)-2-(4-bromophenyl)-N-methylpropan-1-amine
CID 106271674
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 106263328
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 106263598
1-bromo-3-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2,4-difluorobenzene
CID 106273782
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene?
The IUPAC name of 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene (CID 106273846) is 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene?
The canonical SMILES for 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene is Fc1ccc(Br)c(F)c1CC(CCl)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene?
The InChIKey is ISIHZJQCDYEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClF2/c16-11-3-1-9(2-4-11)10(8-18)7-12-14(19)6-5-13(17)15(12)20/h1-6,10H,7-8H2.
What are the key properties of 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene?
1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene has a molecular weight of 424.51 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene is sourced from PubChem (CID 106273846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).