2-[4-bromo-3-(trifluoromethyl)anilino]ethanol

C9H9BrF3NO — CID 64855119

IUPAC2-[4-bromo-3-(trifluoromethyl)anilino]ethanol
SMILESOCCNc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3NO/c10-8-2-1-6(14-3-4-15)5-7(8)9(11,12)13/h1-2,5,14-15H,3-4H2
InChIKeyAGDFSLKXMKSNGP-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.87
Rot. Bonds3

About 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol

2-[4-bromo-3-(trifluoromethyl)anilino]ethanol (PubChem CID 64855119) has the molecular formula C9H9BrF3NO and a molecular weight of 284.08 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)anilino]ethanol
PubChem CID64855119
Molecular FormulaC9H9BrF3NO
Molecular Weight284.08 g/mol
Exact Mass282.98
IUPAC Name2-[4-bromo-3-(trifluoromethyl)anilino]ethanol
SMILESOCCNc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H9BrF3NO/c10-8-2-1-6(14-3-4-15)5-7(8)9(11,12)13/h1-2,5,14-15H,3-4H2
InChIKeyAGDFSLKXMKSNGP-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol (CID 64855119) is 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol is OCCNc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol?
The InChIKey is AGDFSLKXMKSNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-8-2-1-6(14-3-4-15)5-7(8)9(11,12)13/h1-2,5,14-15H,3-4H2.
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol?
2-[4-bromo-3-(trifluoromethyl)anilino]ethanol has a molecular weight of 284.08 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 64855119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).