1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine

C18H20FNO2 — CID 18678268

IUPAC1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine
SMILESFc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C18H20FNO2/c19-15-3-5-17(6-4-15)22-18-9-7-16(8-10-18)21-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2
InChIKeyJGIAAMGVHURZSQ-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.09
Rot. Bonds6

About 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine

1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine (PubChem CID 18678268) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine
PubChem CID18678268
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine
SMILESFc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C18H20FNO2/c19-15-3-5-17(6-4-15)22-18-9-7-16(8-10-18)21-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2
InChIKeyJGIAAMGVHURZSQ-UHFFFAOYSA-N
XLogP4.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine (CID 18678268) is 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine is Fc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine?
The InChIKey is JGIAAMGVHURZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-15-3-5-17(6-4-15)22-18-9-7-16(8-10-18)21-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2.
What are the key properties of 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine?
1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine has a molecular weight of 301.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 18678268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).