2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine

C11H19ClF3NO — CID 63388765

IUPAC2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)COCCN1CCCC1CCCCl
InChIInChI=1S/C11H19ClF3NO/c12-5-1-3-10-4-2-6-16(10)7-8-17-9-11(13,14)15/h10H,1-9H2
InChIKeyWLDZSAPURLHENV-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.05
Rot. Bonds7

About 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine

2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine (PubChem CID 63388765) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
PubChem CID63388765
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC Name2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESFC(F)(F)COCCN1CCCC1CCCCl
InChIInChI=1S/C11H19ClF3NO/c12-5-1-3-10-4-2-6-16(10)7-8-17-9-11(13,14)15/h10H,1-9H2
InChIKeyWLDZSAPURLHENV-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine (CID 63388765) is 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine is FC(F)(F)COCCN1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The InChIKey is WLDZSAPURLHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c12-5-1-3-10-4-2-6-16(10)7-8-17-9-11(13,14)15/h10H,1-9H2.
What are the key properties of 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine?
2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine has a molecular weight of 273.73 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 63388765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).