2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol

C8H16F3NO2 — CID 61490597

IUPAC2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
SMILESCC(C)(CO)NCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(2,5-13)12-3-4-14-6-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyYQWGVBYFZZFIEQ-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.93
Rot. Bonds6

About 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol

2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol (PubChem CID 61490597) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
PubChem CID61490597
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
SMILESCC(C)(CO)NCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(2,5-13)12-3-4-14-6-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyYQWGVBYFZZFIEQ-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
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-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol (CID 61490597) is 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol is CC(C)(CO)NCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol?
The InChIKey is YQWGVBYFZZFIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-7(2,5-13)12-3-4-14-6-8(9,10)11/h12-13H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol?
2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol has a molecular weight of 215.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol is sourced from PubChem (CID 61490597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).