2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine

C9H16F3NO — CID 62480483

IUPAC2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
SMILESFC(F)(F)COCCCC1CCCN1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-2-4-8-3-1-5-13-8/h8,13H,1-7H2
InChIKeyNBNYUJLECKQRQB-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds5

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

2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine (PubChem CID 62480483) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
PubChem CID62480483
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
SMILESFC(F)(F)COCCCC1CCCN1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-2-4-8-3-1-5-13-8/h8,13H,1-7H2
InChIKeyNBNYUJLECKQRQB-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine (CID 62480483) is 2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine is FC(F)(F)COCCCC1CCCN1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine?
The InChIKey is NBNYUJLECKQRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-6-2-4-8-3-1-5-13-8/h8,13H,1-7H2.
What are the key properties of 2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine?
2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine is sourced from PubChem (CID 62480483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).