2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

C9H10BrClF3NO — CID 71757641

IUPAC2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H9BrF3NO.ClH/c10-6-1-2-8(15-4-3-14)7(5-6)9(11,12)13;/h1-2,5H,3-4,14H2;1H
InChIKeyJYNQOZBASJFPPS-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.23
Rot. Bonds3

About 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (PubChem CID 71757641) has the molecular formula C9H10BrClF3NO and a molecular weight of 320.54 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
PubChem CID71757641
Molecular FormulaC9H10BrClF3NO
Molecular Weight320.54 g/mol
Exact Mass318.96
IUPAC Name2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H9BrF3NO.ClH/c10-6-1-2-8(15-4-3-14)7(5-6)9(11,12)13;/h1-2,5H,3-4,14H2;1H
InChIKeyJYNQOZBASJFPPS-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (CID 71757641) is 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is Cl.NCCOc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is JYNQOZBASJFPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO.ClH/c10-6-1-2-8(15-4-3-14)7(5-6)9(11,12)13;/h1-2,5H,3-4,14H2;1H.
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 320.54 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 71757641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).