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

C8H14F3NO — CID 84667443

IUPAC3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)COCCC1CCNC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-4-2-7-1-3-12-5-7/h7,12H,1-6H2
InChIKeyNKYBXWHIVNABPF-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds4

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

3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine (PubChem CID 84667443) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
PubChem CID84667443
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)COCCC1CCNC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-4-2-7-1-3-12-5-7/h7,12H,1-6H2
InChIKeyNKYBXWHIVNABPF-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
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 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine (CID 84667443) is 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine is FC(F)(F)COCCC1CCNC1.
What is the InChIKey of 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The InChIKey is NKYBXWHIVNABPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-13-4-2-7-1-3-12-5-7/h7,12H,1-6H2.
What are the key properties of 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 84667443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).