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

C12H16FN — CID 70692139

IUPAC1-[2-(3-fluorophenyl)ethyl]pyrrolidine
SMILESFc1cccc(CCN2CCCC2)c1
InChIInChI=1S/C12H16FN/c13-12-5-3-4-11(10-12)6-9-14-7-1-2-8-14/h3-5,10H,1-2,6-9H2
InChIKeyPXBKRGXXBYALIH-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.46
Rot. Bonds3

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

1-[2-(3-fluorophenyl)ethyl]pyrrolidine (PubChem CID 70692139) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]pyrrolidine
PubChem CID70692139
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-[2-(3-fluorophenyl)ethyl]pyrrolidine
SMILESFc1cccc(CCN2CCCC2)c1
InChIInChI=1S/C12H16FN/c13-12-5-3-4-11(10-12)6-9-14-7-1-2-8-14/h3-5,10H,1-2,6-9H2
InChIKeyPXBKRGXXBYALIH-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]pyrrolidine (CID 70692139) is 1-[2-(3-fluorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]pyrrolidine is Fc1cccc(CCN2CCCC2)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The InChIKey is PXBKRGXXBYALIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-12-5-3-4-11(10-12)6-9-14-7-1-2-8-14/h3-5,10H,1-2,6-9H2.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]pyrrolidine?
1-[2-(3-fluorophenyl)ethyl]pyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 70692139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).