1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene

C14H10BrF3O — CID 166449861

IUPAC1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene
SMILESFC(F)(F)COc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C14H10BrF3O/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)19-9-14(16,17)18/h1-8H,9H2
InChIKeyUGEMNOBRNKZPLT-UHFFFAOYSA-N
MW331.13 g/mol
LogP5.06
Rot. Bonds3

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

1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene (PubChem CID 166449861) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene
PubChem CID166449861
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene
SMILESFC(F)(F)COc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C14H10BrF3O/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)19-9-14(16,17)18/h1-8H,9H2
InChIKeyUGEMNOBRNKZPLT-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.13
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene?
The IUPAC name of 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene (CID 166449861) is 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene?
The canonical SMILES for 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene is FC(F)(F)COc1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene?
The InChIKey is UGEMNOBRNKZPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)19-9-14(16,17)18/h1-8H,9H2.
What are the key properties of 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene?
1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene has a molecular weight of 331.13 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[4-(2,2,2-trifluoroethoxy)phenyl]benzene is sourced from PubChem (CID 166449861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).