2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

C8H16F3NO — CID 62599025

IUPAC2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCC(C)(C)OCCNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)13-5-4-12-6-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyMTUNQWZJYCGSDI-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (PubChem CID 62599025) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
PubChem CID62599025
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCC(C)(C)OCCNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)13-5-4-12-6-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyMTUNQWZJYCGSDI-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (CID 62599025) is 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is CC(C)(C)OCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The InChIKey is MTUNQWZJYCGSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)13-5-4-12-6-8(9,10)11/h12H,4-6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 62599025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).