1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene

C14H9BrCl2F2 — CID 105399717

IUPAC1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
SMILESFc1cccc(CC(Cl)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C14H9BrCl2F2/c15-11-7-14(19)10(6-13(11)17)12(16)5-8-2-1-3-9(18)4-8/h1-4,6-7,12H,5H2
InChIKeyBQPPIFHFEJDTCC-UHFFFAOYSA-N
MW366.03 g/mol
LogP5.90
Rot. Bonds3

About 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene

1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene (PubChem CID 105399717) has the molecular formula C14H9BrCl2F2 and a molecular weight of 366.03 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
PubChem CID105399717
Molecular FormulaC14H9BrCl2F2
Molecular Weight366.03 g/mol
Exact Mass363.92
IUPAC Name1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
SMILESFc1cccc(CC(Cl)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C14H9BrCl2F2/c15-11-7-14(19)10(6-13(11)17)12(16)5-8-2-1-3-9(18)4-8/h1-4,6-7,12H,5H2
InChIKeyBQPPIFHFEJDTCC-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 55.90
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-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
CID 105399766
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105400119
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750
1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 105398326

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene?
The IUPAC name of 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene (CID 105399717) is 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene?
The canonical SMILES for 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene is Fc1cccc(CC(Cl)c2cc(Cl)c(Br)cc2F)c1.
What is the InChIKey of 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene?
The InChIKey is BQPPIFHFEJDTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2F2/c15-11-7-14(19)10(6-13(11)17)12(16)5-8-2-1-3-9(18)4-8/h1-4,6-7,12H,5H2.
What are the key properties of 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene?
1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene has a molecular weight of 366.03 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene is sourced from PubChem (CID 105399717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).