1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine

C10H18F3NO2 — CID 162445121

IUPAC1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine
SMILESCC(C)N1CCC(OCCOC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2/c1-8(2)14-4-3-9(7-14)15-5-6-16-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyRXYFCZIWFAGWSG-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.02
Rot. Bonds5

About 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine

1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine (PubChem CID 162445121) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine
PubChem CID162445121
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine
SMILESCC(C)N1CCC(OCCOC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2/c1-8(2)14-4-3-9(7-14)15-5-6-16-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyRXYFCZIWFAGWSG-UHFFFAOYSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
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-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine?
The IUPAC name of 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine (CID 162445121) is 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine.
What is the SMILES notation for 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine?
The canonical SMILES for 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine is CC(C)N1CCC(OCCOC(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine?
The InChIKey is RXYFCZIWFAGWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(2)14-4-3-9(7-14)15-5-6-16-10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine?
1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine has a molecular weight of 241.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine is sourced from PubChem (CID 162445121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).