(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C15H19FN2O3 — CID 110108209

IUPAC(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C15H19FN2O3/c16-12-4-2-1-3-11(12)15(20)18-9-13(14(19)10-18)17-5-7-21-8-6-17/h1-4,13-14,19H,5-10H2/t13-,14-/m1/s1
InChIKeyBDUZGRARQYQMAL-ZIAGYGMSSA-N
MW294.33 g/mol
LogP0.34
Rot. Bonds2

About (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone

(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 110108209) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID110108209
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C15H19FN2O3/c16-12-4-2-1-3-11(12)15(20)18-9-13(14(19)10-18)17-5-7-21-8-6-17/h1-4,13-14,19H,5-10H2/t13-,14-/m1/s1
InChIKeyBDUZGRARQYQMAL-ZIAGYGMSSA-N
XLogP0.34
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 133266676
3-(2-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 175659290
3-(2-fluorophenoxy)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 110108325
(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125140917
(2-fluoro-4-hydroxyphenyl)-[(3S,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97339474
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 56865341
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110108358
(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092
[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 91759745
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
CID 133124687
(2,4-difluorophenyl)-[(4S,5S)-4-hydroxy-5-morpholin-4-ylazepan-1-yl]methanone
CID 118741490
1-(2-fluorobenzoyl)azetidine-3-carboxylate
CID 7100057

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 110108209) is (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone is O=C(c1ccccc1F)N1C[C@@H](O)[C@H](N2CCOCC2)C1.
What is the InChIKey of (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is BDUZGRARQYQMAL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-4-2-1-3-11(12)15(20)18-9-13(14(19)10-18)17-5-7-21-8-6-17/h1-4,13-14,19H,5-10H2/t13-,14-/m1/s1.
What are the key properties of (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 294.33 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 110108209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).