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

C15H10BrClF4 — CID 63531749

IUPAC1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1C(Br)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrClF4/c16-13(12-6-5-11(17)8-14(12)18)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2
InChIKeyADZYJULLKFSVRJ-UHFFFAOYSA-N
MW381.59 g/mol
LogP6.18
Rot. Bonds3

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

1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene (PubChem CID 63531749) has the molecular formula C15H10BrClF4 and a molecular weight of 381.59 g/mol. Its IUPAC name is 1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
PubChem CID63531749
Molecular FormulaC15H10BrClF4
Molecular Weight381.59 g/mol
Exact Mass379.96
IUPAC Name1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1C(Br)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrClF4/c16-13(12-6-5-11(17)8-14(12)18)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2
InChIKeyADZYJULLKFSVRJ-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 56.18
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-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dichlorobenzene
CID 63444582
2-bromo-1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-fluorobenzene
CID 63531747
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-2-fluorobenzene
CID 107993438
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene
CID 63531404
2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-1-methylbenzene
CID 63530732
1,3-dibromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 107981106
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-(trifluoromethyl)benzene
CID 79432715
5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-chloro-3-methylthiophene
CID 102764977
1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 114454050
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene (CID 63531749) is 1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1C(Br)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene?
The InChIKey is ADZYJULLKFSVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF4/c16-13(12-6-5-11(17)8-14(12)18)7-9-1-3-10(4-2-9)15(19,20)21/h1-6,8,13H,7H2.
What are the key properties of 1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene?
1-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene has a molecular weight of 381.59 g/mol, XLogP of 6.18, 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-(trifluoromethyl)phenyl]ethyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 63531749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).