4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine

C16H15F3N2O2 — CID 18357038

IUPAC4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
SMILESFC(F)(F)Oc1ccc(OC2CCN(c3ccncc3)C2)cc1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)23-14-3-1-13(2-4-14)22-15-7-10-21(11-15)12-5-8-20-9-6-12/h1-6,8-9,15H,7,10-11H2
InChIKeyPOENHILLICBGOC-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.64
Rot. Bonds4

About 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine

4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine (PubChem CID 18357038) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
PubChem CID18357038
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
SMILESFC(F)(F)Oc1ccc(OC2CCN(c3ccncc3)C2)cc1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)23-14-3-1-13(2-4-14)22-15-7-10-21(11-15)12-5-8-20-9-6-12/h1-6,8-9,15H,7,10-11H2
InChIKeyPOENHILLICBGOC-UHFFFAOYSA-N
XLogP3.64
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine?
The IUPAC name of 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine (CID 18357038) is 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine is FC(F)(F)Oc1ccc(OC2CCN(c3ccncc3)C2)cc1.
What is the InChIKey of 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine?
The InChIKey is POENHILLICBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)23-14-3-1-13(2-4-14)22-15-7-10-21(11-15)12-5-8-20-9-6-12/h1-6,8-9,15H,7,10-11H2.
What are the key properties of 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine?
4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine has a molecular weight of 324.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 18357038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).