1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol

C9H16F3NO2 — CID 102671693

IUPAC1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol
SMILESOC(CNCCC1CCOC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)8(14)5-13-3-1-7-2-4-15-6-7/h7-8,13-14H,1-6H2
InChIKeyVFJRTFFISUSJSL-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.93
Rot. Bonds5

About 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol (PubChem CID 102671693) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol
PubChem CID102671693
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol
SMILESOC(CNCCC1CCOC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)8(14)5-13-3-1-7-2-4-15-6-7/h7-8,13-14H,1-6H2
InChIKeyVFJRTFFISUSJSL-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
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 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol (CID 102671693) is 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol is OC(CNCCC1CCOC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol?
The InChIKey is VFJRTFFISUSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)8(14)5-13-3-1-7-2-4-15-6-7/h7-8,13-14H,1-6H2.
What are the key properties of 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 102671693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).