1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine

C14H20FN — CID 70984054

IUPAC1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine
SMILESCCN1CCCC1CCc1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-2-16-10-4-7-14(16)9-8-12-5-3-6-13(15)11-12/h3,5-6,11,14H,2,4,7-10H2,1H3
InChIKeySYCXPDGTPGFFOA-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.24
Rot. Bonds4

About 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine

1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine (PubChem CID 70984054) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine
PubChem CID70984054
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine
SMILESCCN1CCCC1CCc1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-2-16-10-4-7-14(16)9-8-12-5-3-6-13(15)11-12/h3,5-6,11,14H,2,4,7-10H2,1H3
InChIKeySYCXPDGTPGFFOA-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The IUPAC name of 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine (CID 70984054) is 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine is CCN1CCCC1CCc1cccc(F)c1.
What is the InChIKey of 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The InChIKey is SYCXPDGTPGFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-16-10-4-7-14(16)9-8-12-5-3-6-13(15)11-12/h3,5-6,11,14H,2,4,7-10H2,1H3.
What are the key properties of 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine?
1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 70984054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).