1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene

C13H8BrF3O — CID 123878641

IUPAC1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C13H8BrF3O/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)18-13(15,16)17/h1-8H
InChIKeyOWYGTEZVSYRYHP-UHFFFAOYSA-N
MW317.10 g/mol
LogP5.01
Rot. Bonds2

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

1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 123878641) has the molecular formula C13H8BrF3O and a molecular weight of 317.10 g/mol. Its IUPAC name is 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID123878641
Molecular FormulaC13H8BrF3O
Molecular Weight317.10 g/mol
Exact Mass315.97
IUPAC Name1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C13H8BrF3O/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)18-13(15,16)17/h1-8H
InChIKeyOWYGTEZVSYRYHP-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.10
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118833201
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
4-[2-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]benzonitrile
CID 57031804
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene (CID 123878641) is 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccccc1-c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is OWYGTEZVSYRYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)18-13(15,16)17/h1-8H.
What are the key properties of 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene?
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 317.10 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 123878641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).