2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene

C15H10Br2F4 — CID 63531747

IUPAC2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)Cc2ccc(C(F)(F)F)cc2)c(Br)c1
InChIInChI=1S/C15H10Br2F4/c16-13(12-6-5-11(18)8-14(12)17)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2
InChIKeyBSNSWNCXNPSIGR-UHFFFAOYSA-N
MW426.05 g/mol
LogP6.29
Rot. Bonds3

About 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene

2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene (PubChem CID 63531747) has the molecular formula C15H10Br2F4 and a molecular weight of 426.05 g/mol. Its IUPAC name is 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene
PubChem CID63531747
Molecular FormulaC15H10Br2F4
Molecular Weight426.05 g/mol
Exact Mass423.91
IUPAC Name2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)Cc2ccc(C(F)(F)F)cc2)c(Br)c1
InChIInChI=1S/C15H10Br2F4/c16-13(12-6-5-11(18)8-14(12)17)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2
InChIKeyBSNSWNCXNPSIGR-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.05
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
CID 63531749
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dichlorobenzene
CID 63444582
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene
CID 63531593
1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 107981106
2-bromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 63530053
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
CID 107993438
2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148021

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene (CID 63531747) is 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene is Fc1ccc(C(Br)Cc2ccc(C(F)(F)F)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene?
The InChIKey is BSNSWNCXNPSIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2F4/c16-13(12-6-5-11(18)8-14(12)17)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2.
What are the key properties of 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene?
2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene has a molecular weight of 426.05 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene is sourced from PubChem (CID 63531747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).