1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol

C10H18F3NO2 — CID 63298891

IUPAC1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol
SMILESOC(CNCCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-16-5-1-4-14-6-9(15)8-2-3-8/h8-9,14-15H,1-7H2
InChIKeyJSUMUDKURQCWIN-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.32
Rot. Bonds8

About 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol

1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol (PubChem CID 63298891) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol
PubChem CID63298891
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol
SMILESOC(CNCCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-16-5-1-4-14-6-9(15)8-2-3-8/h8-9,14-15H,1-7H2
InChIKeyJSUMUDKURQCWIN-UHFFFAOYSA-N
XLogP1.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.32
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-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol (CID 63298891) is 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol is OC(CNCCCOCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol?
The InChIKey is JSUMUDKURQCWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)7-16-5-1-4-14-6-9(15)8-2-3-8/h8-9,14-15H,1-7H2.
What are the key properties of 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol?
1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol has a molecular weight of 241.25 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol is sourced from PubChem (CID 63298891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).