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

C16H16FNO2 — CID 53322954

IUPAC3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine
SMILESFc1ccccc1Oc1ccccc1OC1CCNC1
InChIInChI=1S/C16H16FNO2/c17-13-5-1-2-6-14(13)20-16-8-4-3-7-15(16)19-12-9-10-18-11-12/h1-8,12,18H,9-11H2
InChIKeyVWOHRXMXNABMIC-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.36
Rot. Bonds4

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

3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine (PubChem CID 53322954) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine
PubChem CID53322954
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine
SMILESFc1ccccc1Oc1ccccc1OC1CCNC1
InChIInChI=1S/C16H16FNO2/c17-13-5-1-2-6-14(13)20-16-8-4-3-7-15(16)19-12-9-10-18-11-12/h1-8,12,18H,9-11H2
InChIKeyVWOHRXMXNABMIC-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine?
The IUPAC name of 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine (CID 53322954) is 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine?
The canonical SMILES for 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine is Fc1ccccc1Oc1ccccc1OC1CCNC1.
What is the InChIKey of 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine?
The InChIKey is VWOHRXMXNABMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-13-5-1-2-6-14(13)20-16-8-4-3-7-15(16)19-12-9-10-18-11-12/h1-8,12,18H,9-11H2.
What are the key properties of 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine?
3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine has a molecular weight of 273.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)phenoxy]pyrrolidine is sourced from PubChem (CID 53322954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).