2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine

C10H12F3NO — CID 103304871

IUPAC2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine
SMILESNCCOCCc1cc(F)c(F)cc1F
InChIInChI=1S/C10H12F3NO/c11-8-6-10(13)9(12)5-7(8)1-3-15-4-2-14/h5-6H,1-4,14H2
InChIKeyVALWWVAHPAJQMX-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.62
Rot. Bonds5

About 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine

2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine (PubChem CID 103304871) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine
PubChem CID103304871
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine
SMILESNCCOCCc1cc(F)c(F)cc1F
InChIInChI=1S/C10H12F3NO/c11-8-6-10(13)9(12)5-7(8)1-3-15-4-2-14/h5-6H,1-4,14H2
InChIKeyVALWWVAHPAJQMX-UHFFFAOYSA-N
XLogP1.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine (CID 103304871) is 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine is NCCOCCc1cc(F)c(F)cc1F.
What is the InChIKey of 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine?
The InChIKey is VALWWVAHPAJQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-8-6-10(13)9(12)5-7(8)1-3-15-4-2-14/h5-6H,1-4,14H2.
What are the key properties of 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine?
2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine is sourced from PubChem (CID 103304871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).