3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine

C16H15F2NO2 — CID 53318093

IUPAC3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine
SMILESFc1ccccc1Oc1cccc(F)c1OC1CCNC1
InChIInChI=1S/C16H15F2NO2/c17-12-4-1-2-6-14(12)21-15-7-3-5-13(18)16(15)20-11-8-9-19-10-11/h1-7,11,19H,8-10H2
InChIKeyFWSGCKKLRWEEEX-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.50
Rot. Bonds4

About 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine

3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine (PubChem CID 53318093) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine
PubChem CID53318093
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine
SMILESFc1ccccc1Oc1cccc(F)c1OC1CCNC1
InChIInChI=1S/C16H15F2NO2/c17-12-4-1-2-6-14(12)21-15-7-3-5-13(18)16(15)20-11-8-9-19-10-11/h1-7,11,19H,8-10H2
InChIKeyFWSGCKKLRWEEEX-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine?
The IUPAC name of 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine (CID 53318093) is 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine.
What is the SMILES notation for 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine?
The canonical SMILES for 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine is Fc1ccccc1Oc1cccc(F)c1OC1CCNC1.
What is the InChIKey of 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine?
The InChIKey is FWSGCKKLRWEEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-12-4-1-2-6-14(12)21-15-7-3-5-13(18)16(15)20-11-8-9-19-10-11/h1-7,11,19H,8-10H2.
What are the key properties of 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine?
3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine has a molecular weight of 291.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-6-(2-fluorophenoxy)phenoxy]pyrrolidine is sourced from PubChem (CID 53318093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).