[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C16H20F2N2O4 — CID 91759745

IUPAC[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(OC(F)F)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1
InChIInChI=1S/C16H20F2N2O4/c17-16(18)24-12-3-1-2-11(8-12)15(22)20-9-13(14(21)10-20)19-4-6-23-7-5-19/h1-3,8,13-14,16,21H,4-7,9-10H2/t13-,14-/m0/s1
InChIKeyAYGZOYNDPIZMGB-KBPBESRZSA-N
MW342.34 g/mol
LogP0.81
Rot. Bonds4

About [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone

[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 91759745) has the molecular formula C16H20F2N2O4 and a molecular weight of 342.34 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID91759745
Molecular FormulaC16H20F2N2O4
Molecular Weight342.34 g/mol
Exact Mass342.14
IUPAC Name[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(OC(F)F)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1
InChIInChI=1S/C16H20F2N2O4/c17-16(18)24-12-3-1-2-11(8-12)15(22)20-9-13(14(21)10-20)19-4-6-23-7-5-19/h1-3,8,13-14,16,21H,4-7,9-10H2/t13-,14-/m0/s1
InChIKeyAYGZOYNDPIZMGB-KBPBESRZSA-N
XLogP0.81
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
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[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
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[(2R)-4-[3-(difluoromethoxy)benzoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 27446715
[4-[3-(difluoromethoxy)benzoyl]-3-methylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 112811910
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110108296
[3-(difluoromethoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 2312190
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
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[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102938275
[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 133130673
[3-(difluoromethoxy)phenyl]-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70728998
[4-(1-bromoethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 91759745) is [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone is O=C(c1cccc(OC(F)F)c1)N1C[C@H](O)[C@@H](N2CCOCC2)C1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is AYGZOYNDPIZMGB-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20F2N2O4/c17-16(18)24-12-3-1-2-11(8-12)15(22)20-9-13(14(21)10-20)19-4-6-23-7-5-19/h1-3,8,13-14,16,21H,4-7,9-10H2/t13-,14-/m0/s1.
What are the key properties of [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 342.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 91759745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).