6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one

C14H15F3N2O2 — CID 155449752

IUPAC6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cc(CN1CCOCC1)cc2C(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)12-6-9(8-19-1-3-21-4-2-19)5-10-11(12)7-18-13(10)20/h5-6H,1-4,7-8H2,(H,18,20)
InChIKeyYZAWVTDLLYOGMZ-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.78
Rot. Bonds2

About 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one

6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one (PubChem CID 155449752) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
PubChem CID155449752
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cc(CN1CCOCC1)cc2C(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)12-6-9(8-19-1-3-21-4-2-19)5-10-11(12)7-18-13(10)20/h5-6H,1-4,7-8H2,(H,18,20)
InChIKeyYZAWVTDLLYOGMZ-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3-oxo-7-(trifluoromethyl)-1,2-dihydroisoindol-5-yl]methyl]morpholin-2-yl]acetonitrile
CID 155435354
6-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 175947754
6-(morpholin-4-ylmethyl)-2-phenyl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 155324550
6-[[(2R)-2-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 175229667
6-[[[(2R)-2-hydroxycyclopentyl]amino]methyl]-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one
CID 165410858
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
4-methylsulfanyl-6-(piperidin-1-ylmethyl)-2,3-dihydroisoindol-1-one
CID 169179363
6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165378939
1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
CID 177027614
4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 157042080
3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059829
3-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 156697922

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one (CID 155449752) is 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one is O=C1NCc2c1cc(CN1CCOCC1)cc2C(F)(F)F.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
The InChIKey is YZAWVTDLLYOGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)12-6-9(8-19-1-3-21-4-2-19)5-10-11(12)7-18-13(10)20/h5-6H,1-4,7-8H2,(H,18,20).
What are the key properties of 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one?
6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one has a molecular weight of 300.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 155449752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).