6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one

C15H17F3N2O2 — CID 115067951

IUPAC6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
SMILESO=C1COC(C2CCNC2)CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-1-3-12(4-2-11)20-8-13(22-9-14(20)21)10-5-6-19-7-10/h1-4,10,13,19H,5-9H2
InChIKeyRVWWLJYKNLGHCM-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.05
Rot. Bonds2

About 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one

6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one (PubChem CID 115067951) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
PubChem CID115067951
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
SMILESO=C1COC(C2CCNC2)CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-1-3-12(4-2-11)20-8-13(22-9-14(20)21)10-5-6-19-7-10/h1-4,10,13,19H,5-9H2
InChIKeyRVWWLJYKNLGHCM-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 115064326
5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 115064963
4-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,4-oxazepan-5-one
CID 146298557
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
5-pyrrolidin-3-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115065111
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 172543039
1-oxo-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463452
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The IUPAC name of 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one (CID 115067951) is 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one.
What is the SMILES notation for 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The canonical SMILES for 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one is O=C1COC(C2CCNC2)CN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The InChIKey is RVWWLJYKNLGHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)11-1-3-12(4-2-11)20-8-13(22-9-14(20)21)10-5-6-19-7-10/h1-4,10,13,19H,5-9H2.
What are the key properties of 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one?
6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one has a molecular weight of 314.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one is sourced from PubChem (CID 115067951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).