3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine

C16H15F3N2O — CID 66752414

IUPAC3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine
SMILESFc1cc(F)c(OC(c2cccnc2)[C@@H]2CCNC2)c(F)c1
InChIInChI=1S/C16H15F3N2O/c17-12-6-13(18)16(14(19)7-12)22-15(11-3-5-21-9-11)10-2-1-4-20-8-10/h1-2,4,6-8,11,15,21H,3,5,9H2/t11-,15?/m1/s1
InChIKeyYSCAUYGVBBPKSI-ZRKZCGFPSA-N
MW308.30 g/mol
LogP3.23
Rot. Bonds4

About 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine

3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine (PubChem CID 66752414) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine
PubChem CID66752414
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine
SMILESFc1cc(F)c(OC(c2cccnc2)[C@@H]2CCNC2)c(F)c1
InChIInChI=1S/C16H15F3N2O/c17-12-6-13(18)16(14(19)7-12)22-15(11-3-5-21-9-11)10-2-1-4-20-8-10/h1-2,4,6-8,11,15,21H,3,5,9H2/t11-,15?/m1/s1
InChIKeyYSCAUYGVBBPKSI-ZRKZCGFPSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-(4-chloro-2,6-difluorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752357
(3S)-3-[phenyl-(2,4,6-trifluorophenoxy)methyl]pyrrolidine
CID 66924710
3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 66754036
3-[(R)-(2,6-dichloro-4-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 66752522
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
3-[(S)-(2,6-dichloro-4-methylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 66752590
3-(2-methyl-1-pyrrolidin-3-ylpropyl)pyridine
CID 83908706
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
4-[(S)-(2,6-dichlorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752999
2,3,5-trifluoro-6-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 46946622
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753077

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine?
The IUPAC name of 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine (CID 66752414) is 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine.
What is the SMILES notation for 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine?
The canonical SMILES for 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine is Fc1cc(F)c(OC(c2cccnc2)[C@@H]2CCNC2)c(F)c1.
What is the InChIKey of 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine?
The InChIKey is YSCAUYGVBBPKSI-ZRKZCGFPSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-12-6-13(18)16(14(19)7-12)22-15(11-3-5-21-9-11)10-2-1-4-20-8-10/h1-2,4,6-8,11,15,21H,3,5,9H2/t11-,15?/m1/s1.
What are the key properties of 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine?
3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine has a molecular weight of 308.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine is sourced from PubChem (CID 66752414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).