(3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C10H15F3N2O2 — CID 100665446

IUPAC(3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1[C@@H](N2CCOCC2)CCN1CC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-15-2-1-8(9(15)16)14-3-5-17-6-4-14/h8H,1-7H2/t8-/m0/s1
InChIKeyJFBNWCYSFHJPHZ-QMMMGPOBSA-N
MW252.24 g/mol
LogP0.48
Rot. Bonds2

About (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 100665446) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID100665446
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name(3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1[C@@H](N2CCOCC2)CCN1CC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-15-2-1-8(9(15)16)14-3-5-17-6-4-14/h8H,1-7H2/t8-/m0/s1
InChIKeyJFBNWCYSFHJPHZ-QMMMGPOBSA-N
XLogP0.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 100665446) is (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1[C@@H](N2CCOCC2)CCN1CC(F)(F)F.
What is the InChIKey of (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is JFBNWCYSFHJPHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)7-15-2-1-8(9(15)16)14-3-5-17-6-4-14/h8H,1-7H2/t8-/m0/s1.
What are the key properties of (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 252.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 100665446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).