(3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol

C15H20F2N2O2 — CID 30728709

IUPAC(3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1N1CCOCC1
InChIInChI=1S/C15H20F2N2O2/c16-12-2-1-11(13(17)7-12)8-18-9-14(15(20)10-18)19-3-5-21-6-4-19/h1-2,7,14-15,20H,3-6,8-10H2/t14-,15-/m0/s1
InChIKeyQZZFEXZUYJRJFF-GJZGRUSLSA-N
MW298.33 g/mol
LogP0.84
Rot. Bonds3

About (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol

(3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol (PubChem CID 30728709) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
PubChem CID30728709
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name(3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1N1CCOCC1
InChIInChI=1S/C15H20F2N2O2/c16-12-2-1-11(13(17)7-12)8-18-9-14(15(20)10-18)19-3-5-21-6-4-19/h1-2,7,14-15,20H,3-6,8-10H2/t14-,15-/m0/s1
InChIKeyQZZFEXZUYJRJFF-GJZGRUSLSA-N
XLogP0.84
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol (CID 30728709) is (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol is O[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The InChIKey is QZZFEXZUYJRJFF-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-12-2-1-11(13(17)7-12)8-18-9-14(15(20)10-18)19-3-5-21-6-4-19/h1-2,7,14-15,20H,3-6,8-10H2/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
(3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol has a molecular weight of 298.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(2,4-difluorophenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 30728709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).