2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine

C13H23F3N2O — CID 62272890

IUPAC2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
SMILESFC(F)(F)COCCCN1CCCC1C1CCCN1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-3-8-18-7-2-5-12(18)11-4-1-6-17-11/h11-12,17H,1-10H2
InChIKeyHVUGXKRVYCCEEE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds6

About 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine

2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine (PubChem CID 62272890) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
PubChem CID62272890
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
SMILESFC(F)(F)COCCCN1CCCC1C1CCCN1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-3-8-18-7-2-5-12(18)11-4-1-6-17-11/h11-12,17H,1-10H2
InChIKeyHVUGXKRVYCCEEE-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine?
The IUPAC name of 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine (CID 62272890) is 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine is FC(F)(F)COCCCN1CCCC1C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine?
The InChIKey is HVUGXKRVYCCEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-3-8-18-7-2-5-12(18)11-4-1-6-17-11/h11-12,17H,1-10H2.
What are the key properties of 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine?
2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine has a molecular weight of 280.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine is sourced from PubChem (CID 62272890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).