2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine

C8H16F3NO2 — CID 104760288

IUPAC2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESCC(C)OCCNCCOC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(2)13-5-3-12-4-6-14-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyPBRQOLRXWIMOEZ-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.54
Rot. Bonds7

About 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine

2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine (PubChem CID 104760288) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
PubChem CID104760288
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESCC(C)OCCNCCOC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(2)13-5-3-12-4-6-14-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyPBRQOLRXWIMOEZ-UHFFFAOYSA-N
XLogP1.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.54
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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Related Compounds

Bis(2-isopropoxyethyl)amine
CID 22450263
Bis-(2-pentafluoroethyloxy-ethyl)-amine
CID 12046721
N-(2-ethoxyethyl)-2,2,2-trifluoroethanamine
CID 43387971
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 60690622
N-(2-ethoxyethyl)-2,2-difluoroethanamine
CID 60921493
N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61492431
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
2-methoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65802989
2-ethoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65806235
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N-methyl-2-(4,4,4-trifluorobutoxy)butan-1-amine
CID 82792420
N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The IUPAC name of 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine (CID 104760288) is 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The canonical SMILES for 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine is CC(C)OCCNCCOC(F)(F)F.
What is the InChIKey of 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The InChIKey is PBRQOLRXWIMOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-7(2)13-5-3-12-4-6-14-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine?
2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine has a molecular weight of 215.21 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine is sourced from PubChem (CID 104760288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).