2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine

C10H18F3NO2 — CID 62584029

IUPAC2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine
SMILESFC(F)(F)CNCCOCC1CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-14-3-6-16-7-9-1-4-15-5-2-9/h9,14H,1-8H2
InChIKeyBHBRNQIJXLRTQP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.58
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine (PubChem CID 62584029) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine
PubChem CID62584029
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine
SMILESFC(F)(F)CNCCOCC1CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-14-3-6-16-7-9-1-4-15-5-2-9/h9,14H,1-8H2
InChIKeyBHBRNQIJXLRTQP-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine (CID 62584029) is 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine is FC(F)(F)CNCCOCC1CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine?
The InChIKey is BHBRNQIJXLRTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-14-3-6-16-7-9-1-4-15-5-2-9/h9,14H,1-8H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine has a molecular weight of 241.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine is sourced from PubChem (CID 62584029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).