1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene

C15H11BrCl2F2 — CID 106273850

IUPAC1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1CC(CCl)c1cccc(Cl)c1
InChIInChI=1S/C15H11BrCl2F2/c16-13-4-5-14(19)12(15(13)20)7-10(8-17)9-2-1-3-11(18)6-9/h1-6,10H,7-8H2
InChIKeySUJQKTRUWARBOG-UHFFFAOYSA-N
MW380.06 g/mol
LogP5.95
Rot. Bonds4

About 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene

1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene (PubChem CID 106273850) has the molecular formula C15H11BrCl2F2 and a molecular weight of 380.06 g/mol. Its IUPAC name is 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
PubChem CID106273850
Molecular FormulaC15H11BrCl2F2
Molecular Weight380.06 g/mol
Exact Mass377.94
IUPAC Name1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1CC(CCl)c1cccc(Cl)c1
InChIInChI=1S/C15H11BrCl2F2/c16-13-4-5-14(19)12(15(13)20)7-10(8-17)9-2-1-3-11(18)6-9/h1-6,10H,7-8H2
InChIKeySUJQKTRUWARBOG-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.06
LogP ≤ 55.95
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-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
3-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 106271721
1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
CID 106273769
1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 106273846
(1S)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263607
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263274
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79432496
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
CID 79431465
3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 79443459
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene?
The IUPAC name of 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene (CID 106273850) is 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene?
The canonical SMILES for 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene is Fc1ccc(Br)c(F)c1CC(CCl)c1cccc(Cl)c1.
What is the InChIKey of 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene?
The InChIKey is SUJQKTRUWARBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2F2/c16-13-4-5-14(19)12(15(13)20)7-10(8-17)9-2-1-3-11(18)6-9/h1-6,10H,7-8H2.
What are the key properties of 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene?
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene has a molecular weight of 380.06 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene is sourced from PubChem (CID 106273850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).