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

C13H8BrF3O — CID 74892048

IUPAC2-bromo-1-phenyl-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(-c2ccccc2)c(Br)c1
InChIInChI=1S/C13H8BrF3O/c14-12-8-10(18-13(15,16)17)6-7-11(12)9-4-2-1-3-5-9/h1-8H
InChIKeyXJFYXPPJFKWKPA-UHFFFAOYSA-N
MW317.10 g/mol
LogP5.01
Rot. Bonds2

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

2-bromo-1-phenyl-4-(trifluoromethoxy)benzene (PubChem CID 74892048) has the molecular formula C13H8BrF3O and a molecular weight of 317.10 g/mol. Its IUPAC name is 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-phenyl-4-(trifluoromethoxy)benzene
PubChem CID74892048
Molecular FormulaC13H8BrF3O
Molecular Weight317.10 g/mol
Exact Mass315.97
IUPAC Name2-bromo-1-phenyl-4-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(-c2ccccc2)c(Br)c1
InChIInChI=1S/C13H8BrF3O/c14-12-8-10(18-13(15,16)17)6-7-11(12)9-4-2-1-3-5-9/h1-8H
InChIKeyXJFYXPPJFKWKPA-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

2-phenyl-4-(trifluoromethoxy)benzenethiol
CID 90189291
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
[2-bromo-4-(trifluoromethoxy)phenyl]azanium
CID 146757846
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
trifluoromethoxybenzene
CID 157402708
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
CID 171115617
2-(trifluoromethoxy)triphenylene
CID 154001040
trifluoromethoxybenzene fluoride
CID 158305019
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene (CID 74892048) is 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(-c2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene?
The InChIKey is XJFYXPPJFKWKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O/c14-12-8-10(18-13(15,16)17)6-7-11(12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene?
2-bromo-1-phenyl-4-(trifluoromethoxy)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 2-bromo-1-phenyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 74892048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).