4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene

C14H10BrF3O — CID 164894616

IUPAC4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
SMILESCOc1ccc(-c2ccc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H10BrF3O/c1-19-11-5-2-9(3-6-11)12-7-4-10(15)8-13(12)14(16,17)18/h2-8H,1H3
InChIKeyUDVQVIUKDJCSNV-UHFFFAOYSA-N
MW331.13 g/mol
LogP5.14
Rot. Bonds2

About 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene

4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene (PubChem CID 164894616) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
PubChem CID164894616
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
SMILESCOc1ccc(-c2ccc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H10BrF3O/c1-19-11-5-2-9(3-6-11)12-7-4-10(15)8-13(12)14(16,17)18/h2-8H,1H3
InChIKeyUDVQVIUKDJCSNV-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.13
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene (CID 164894616) is 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene is COc1ccc(-c2ccc(Br)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene?
The InChIKey is UDVQVIUKDJCSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c1-19-11-5-2-9(3-6-11)12-7-4-10(15)8-13(12)14(16,17)18/h2-8H,1H3.
What are the key properties of 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene?
4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene has a molecular weight of 331.13 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 164894616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).