[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate

C17H15F3N2O3 — CID 23635893

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCC1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)12-3-8-15(21-11-12)24-13-4-6-14(7-5-13)25-16(23)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2
InChIKeyYUPUKCAGRWWJHY-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.49
Rot. Bonds3

About [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate (PubChem CID 23635893) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate
PubChem CID23635893
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCC1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)12-3-8-15(21-11-12)24-13-4-6-14(7-5-13)25-16(23)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2
InChIKeyYUPUKCAGRWWJHY-UHFFFAOYSA-N
XLogP4.49
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate (CID 23635893) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate is O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCC1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate?
The InChIKey is YUPUKCAGRWWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)12-3-8-15(21-11-12)24-13-4-6-14(7-5-13)25-16(23)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate has a molecular weight of 352.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 23635893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).