1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol

C8H16F3NO2 — CID 61491124

IUPAC1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol
SMILESCC(O)CNCCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(13)5-12-3-2-4-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyBANDTIABLYJLAF-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.93
Rot. Bonds7

About 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol

1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol (PubChem CID 61491124) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol
PubChem CID61491124
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol
SMILESCC(O)CNCCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(13)5-12-3-2-4-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyBANDTIABLYJLAF-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol (CID 61491124) is 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol is CC(O)CNCCCOCC(F)(F)F.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol?
The InChIKey is BANDTIABLYJLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-7(13)5-12-3-2-4-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol?
1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol is sourced from PubChem (CID 61491124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).