1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene

C15H12BrF3 — CID 172602830

IUPAC1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1cccc(CCc2cccc(Br)c2)c1
InChIInChI=1S/C15H12BrF3/c16-14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)15(17,18)19/h1-6,9-10H,7-8H2
InChIKeyCADLNGDUTPPRHI-UHFFFAOYSA-N
MW329.16 g/mol
LogP5.25
Rot. Bonds3

About 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene

1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene (PubChem CID 172602830) has the molecular formula C15H12BrF3 and a molecular weight of 329.16 g/mol. Its IUPAC name is 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
PubChem CID172602830
Molecular FormulaC15H12BrF3
Molecular Weight329.16 g/mol
Exact Mass328.01
IUPAC Name1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
SMILESFC(F)(F)c1cccc(CCc2cccc(Br)c2)c1
InChIInChI=1S/C15H12BrF3/c16-14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)15(17,18)19/h1-6,9-10H,7-8H2
InChIKeyCADLNGDUTPPRHI-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-3-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79430597
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 115047089
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
CID 70887141
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
azane;1-bromo-3-(trifluoromethyl)benzene;carbonic acid
CID 175115422
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
1-(bromomethyl)-3-(trifluoromethyl)benzene;1-(bromomethyl)-4-(trifluoromethyl)benzene
CID 162007263

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene?
The IUPAC name of 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene (CID 172602830) is 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene is FC(F)(F)c1cccc(CCc2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene?
The InChIKey is CADLNGDUTPPRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3/c16-14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)15(17,18)19/h1-6,9-10H,7-8H2.
What are the key properties of 1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene?
1-bromo-3-[2-[3-(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-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 172602830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).