6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one

C15H17F3N2O2 — CID 175229667

IUPAC6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
SMILESC[C@@]1(Cc2cc3c(c(C(F)(F)F)c2)CNC3=O)CNCCO1
InChIInChI=1S/C15H17F3N2O2/c1-14(8-19-2-3-22-14)6-9-4-10-11(7-20-13(10)21)12(5-9)15(16,17)18/h4-5,19H,2-3,6-8H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyPDLFVNQMFJCKJZ-CQSZACIVSA-N
MW314.31 g/mol
LogP1.87
Rot. Bonds2

About 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one

6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one (PubChem CID 175229667) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
PubChem CID175229667
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
SMILESC[C@@]1(Cc2cc3c(c(C(F)(F)F)c2)CNC3=O)CNCCO1
InChIInChI=1S/C15H17F3N2O2/c1-14(8-19-2-3-22-14)6-9-4-10-11(7-20-13(10)21)12(5-9)15(16,17)18/h4-5,19H,2-3,6-8H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyPDLFVNQMFJCKJZ-CQSZACIVSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one (CID 175229667) is 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one is C[C@@]1(Cc2cc3c(c(C(F)(F)F)c2)CNC3=O)CNCCO1.
What is the InChIKey of 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The InChIKey is PDLFVNQMFJCKJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-14(8-19-2-3-22-14)6-9-4-10-11(7-20-13(10)21)12(5-9)15(16,17)18/h4-5,19H,2-3,6-8H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one has a molecular weight of 314.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175229667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).