2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine

C17H17F3N2O — CID 66752912

IUPAC2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(OC(c2ccccc2)[C@H]2CCNC2)nc1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)14-6-7-15(22-11-14)23-16(13-8-9-21-10-13)12-4-2-1-3-5-12/h1-7,11,13,16,21H,8-10H2/t13-,16?/m0/s1
InChIKeyWGBLWZKTLXVPNO-KNVGNIICSA-N
MW322.33 g/mol
LogP3.83
Rot. Bonds4

About 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine

2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine (PubChem CID 66752912) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine
PubChem CID66752912
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(OC(c2ccccc2)[C@H]2CCNC2)nc1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)14-6-7-15(22-11-14)23-16(13-8-9-21-10-13)12-4-2-1-3-5-12/h1-7,11,13,16,21H,8-10H2/t13-,16?/m0/s1
InChIKeyWGBLWZKTLXVPNO-KNVGNIICSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine 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 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine (CID 66752912) is 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(OC(c2ccccc2)[C@H]2CCNC2)nc1.
What is the InChIKey of 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is WGBLWZKTLXVPNO-KNVGNIICSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)14-6-7-15(22-11-14)23-16(13-8-9-21-10-13)12-4-2-1-3-5-12/h1-7,11,13,16,21H,8-10H2/t13-,16?/m0/s1.
What are the key properties of 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine?
2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 322.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 66752912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).