1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene

C14H9BrF4 — CID 103304292

IUPAC1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
SMILESFc1cccc(CC(Br)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C14H9BrF4/c15-11(5-8-2-1-3-9(16)4-8)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,11H,5H2
InChIKeyQYUABMCXGWISJN-UHFFFAOYSA-N
MW333.12 g/mol
LogP4.92
Rot. Bonds3

About 1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene

1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene (PubChem CID 103304292) has the molecular formula C14H9BrF4 and a molecular weight of 333.12 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
PubChem CID103304292
Molecular FormulaC14H9BrF4
Molecular Weight333.12 g/mol
Exact Mass331.98
IUPAC Name1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
SMILESFc1cccc(CC(Br)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C14H9BrF4/c15-11(5-8-2-1-3-9(16)4-8)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,11H,5H2
InChIKeyQYUABMCXGWISJN-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.12
LogP ≤ 54.92
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-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
CID 103303315
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene
CID 55198404
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304095
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
CID 63543838
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438442
1-bromo-5-[1-bromo-2-(3-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103396441
4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
CID 107333503

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene (CID 103304292) is 1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene is Fc1cccc(CC(Br)c2cc(F)c(F)cc2F)c1.
What is the InChIKey of 1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene?
The InChIKey is QYUABMCXGWISJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4/c15-11(5-8-2-1-3-9(16)4-8)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-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene?
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene has a molecular weight of 333.12 g/mol, XLogP of 4.92, 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-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103304292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).