(3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine

C16H14ClF2NO2 — CID 53319432

IUPAC(3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine
SMILESFc1cccc(Cl)c1Oc1cccc(F)c1O[C@@H]1CCNC1
InChIInChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2/t10-/m1/s1
InChIKeyPDVOMSJUMYNNBT-SNVBAGLBSA-N
MW325.74 g/mol
LogP4.15
Rot. Bonds4

About (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine

(3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine (PubChem CID 53319432) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine
PubChem CID53319432
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name(3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine
SMILESFc1cccc(Cl)c1Oc1cccc(F)c1O[C@@H]1CCNC1
InChIInChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2/t10-/m1/s1
InChIKeyPDVOMSJUMYNNBT-SNVBAGLBSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine?
The IUPAC name of (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine (CID 53319432) is (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine.
What is the SMILES notation for (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine?
The canonical SMILES for (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine is Fc1cccc(Cl)c1Oc1cccc(F)c1O[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine?
The InChIKey is PDVOMSJUMYNNBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2/t10-/m1/s1.
What are the key properties of (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine?
(3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine has a molecular weight of 325.74 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]pyrrolidine is sourced from PubChem (CID 53319432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).