2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

C9H11ClF3NO — CID 42950515

IUPAC2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13;/h1-3,6H,4-5,13H2;1H
InChIKeyPUCMINVFHFAQML-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.46
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride

2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (PubChem CID 42950515) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
PubChem CID42950515
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13;/h1-3,6H,4-5,13H2;1H
InChIKeyPUCMINVFHFAQML-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (CID 42950515) is 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is Cl.NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is PUCMINVFHFAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13;/h1-3,6H,4-5,13H2;1H.
What are the key properties of 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 42950515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).