(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol

C15H19F3N2O2 — CID 129352763

IUPAC(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-3-4-14(19-8-10)20-6-1-2-12(20)11-9-22-7-5-13(11)21/h3-4,8,11-13,21H,1-2,5-7,9H2/t11-,12-,13-/m1/s1
InChIKeySDXKXEURZGXWQF-JHJVBQTASA-N
MW316.32 g/mol
LogP2.47
Rot. Bonds2

About (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol

(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129352763) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol
PubChem CID129352763
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-3-4-14(19-8-10)20-6-1-2-12(20)11-9-22-7-5-13(11)21/h3-4,8,11-13,21H,1-2,5-7,9H2/t11-,12-,13-/m1/s1
InChIKeySDXKXEURZGXWQF-JHJVBQTASA-N
XLogP2.47
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129350797
(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352736
(3S,4R)-3-[(2S)-1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129491909
[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 164642673
2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 129447224
(3S,4R)-3-[(2S)-1-(5-fluoroquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 100684861
1-(oxan-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 138997912
(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129447486
(3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352780
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol
CID 154755579
2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
CID 100689790

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol (CID 129352763) is (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol is O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is SDXKXEURZGXWQF-JHJVBQTASA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)10-3-4-14(19-8-10)20-6-1-2-12(20)11-9-22-7-5-13(11)21/h3-4,8,11-13,21H,1-2,5-7,9H2/t11-,12-,13-/m1/s1.
What are the key properties of (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol?
(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 316.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129352763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).