1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene

C14H9Br2F3 — CID 103304095

IUPAC1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Br)Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C14H9Br2F3/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,11H,5H2
InChIKeyYMSWVKIEOKHWBK-UHFFFAOYSA-N
MW394.03 g/mol
LogP5.55
Rot. Bonds3

About 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene

1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene (PubChem CID 103304095) has the molecular formula C14H9Br2F3 and a molecular weight of 394.03 g/mol. Its IUPAC name is 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene
PubChem CID103304095
Molecular FormulaC14H9Br2F3
Molecular Weight394.03 g/mol
Exact Mass391.90
IUPAC Name1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Br)Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C14H9Br2F3/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,11H,5H2
InChIKeyYMSWVKIEOKHWBK-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.03
LogP ≤ 55.55
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-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene
CID 79730434
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
4-bromo-2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 63544125
1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene
CID 114560967
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-4,5-difluorobenzene
CID 107477529
3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran
CID 63543444
2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273
1-[1-bromo-2-(3,4-difluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461470
2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63531253
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 115370103

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene (CID 103304095) is 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene is Fc1cc(F)c(C(Br)Cc2ccc(Br)cc2)cc1F.
What is the InChIKey of 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene?
The InChIKey is YMSWVKIEOKHWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,11H,5H2.
What are the key properties of 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene?
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene has a molecular weight of 394.03 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103304095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).