3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine

C16H15ClFNO2 — CID 53318094

IUPAC3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine
SMILESFc1cccc(Oc2ccccc2Cl)c1OC1CCNC1
InChIInChI=1S/C16H15ClFNO2/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
InChIKeyUNWRSVCWVWOSPV-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.01
Rot. Bonds4

About 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine

3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine (PubChem CID 53318094) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine
PubChem CID53318094
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine
SMILESFc1cccc(Oc2ccccc2Cl)c1OC1CCNC1
InChIInChI=1S/C16H15ClFNO2/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
InChIKeyUNWRSVCWVWOSPV-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine?
The IUPAC name of 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine (CID 53318094) is 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine.
What is the SMILES notation for 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine?
The canonical SMILES for 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine is Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1.
What is the InChIKey of 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine?
The InChIKey is UNWRSVCWVWOSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/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-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine?
3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine has a molecular weight of 307.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenoxy)-6-fluorophenoxy]pyrrolidine is sourced from PubChem (CID 53318094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).