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

C15H12BrF3 — CID 86225102

IUPAC1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1ccc(CCc2ccccc2Br)cc1
InChIInChI=1S/C15H12BrF3/c16-14-4-2-1-3-12(14)8-5-11-6-9-13(10-7-11)15(17,18)19/h1-4,6-7,9-10H,5,8H2
InChIKeyAUIOOIXRSINKGP-UHFFFAOYSA-N
MW329.16 g/mol
LogP5.25
Rot. Bonds3

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

1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene (PubChem CID 86225102) has the molecular formula C15H12BrF3 and a molecular weight of 329.16 g/mol. Its IUPAC name is 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
PubChem CID86225102
Molecular FormulaC15H12BrF3
Molecular Weight329.16 g/mol
Exact Mass328.01
IUPAC Name1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1ccc(CCc2ccccc2Br)cc1
InChIInChI=1S/C15H12BrF3/c16-14-4-2-1-3-12(14)8-5-11-6-9-13(10-7-11)15(17,18)19/h1-4,6-7,9-10H,5,8H2
InChIKeyAUIOOIXRSINKGP-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.16
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
4-[2-(2-bromophenyl)ethyl]phenol
CID 16638816
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916
2-[(2-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 60632029
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
2-bromo-6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
CID 62732578
1-bromo-2-[5-(4-bromophenyl)pentyl]benzene
CID 173152219
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
CID 91426393
3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99873935
ethyl 2-[(2-bromophenyl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoacetate
CID 67189049

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The IUPAC name of 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene (CID 86225102) is 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene is FC(F)(F)c1ccc(CCc2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The InChIKey is AUIOOIXRSINKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3/c16-14-4-2-1-3-12(14)8-5-11-6-9-13(10-7-11)15(17,18)19/h1-4,6-7,9-10H,5,8H2.
What are the key properties of 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene has a molecular weight of 329.16 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 86225102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).