2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol

C8H16F3NO2 — CID 61490596

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
SMILESCCC(CO)NCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-2-7(5-13)12-3-4-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyBCGKKOLYHMCGTL-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.93
Rot. Bonds7

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

2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol (PubChem CID 61490596) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
PubChem CID61490596
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
SMILESCCC(CO)NCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-2-7(5-13)12-3-4-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyBCGKKOLYHMCGTL-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 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol (CID 61490596) is 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol is CCC(CO)NCCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol?
The InChIKey is BCGKKOLYHMCGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-2-7(5-13)12-3-4-14-6-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol?
2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-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 2-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol is sourced from PubChem (CID 61490596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).