1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene

C15H11BrF4O — CID 69116873

IUPAC1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene
SMILESFc1ccc(CCOc2cc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C15H11BrF4O/c16-13-6-3-11(15(18,19)20)9-14(13)21-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2
InChIKeyLNDVBIGVKPBGRE-UHFFFAOYSA-N
MW363.15 g/mol
LogP5.23
Rot. Bonds4

About 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene

1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene (PubChem CID 69116873) has the molecular formula C15H11BrF4O and a molecular weight of 363.15 g/mol. Its IUPAC name is 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene
PubChem CID69116873
Molecular FormulaC15H11BrF4O
Molecular Weight363.15 g/mol
Exact Mass361.99
IUPAC Name1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene
SMILESFc1ccc(CCOc2cc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C15H11BrF4O/c16-13-6-3-11(15(18,19)20)9-14(13)21-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2
InChIKeyLNDVBIGVKPBGRE-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.15
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene (CID 69116873) is 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene is Fc1ccc(CCOc2cc(C(F)(F)F)ccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene?
The InChIKey is LNDVBIGVKPBGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4O/c16-13-6-3-11(15(18,19)20)9-14(13)21-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2.
What are the key properties of 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene?
1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene has a molecular weight of 363.15 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 69116873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).