2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione

C16H17F3N2O4 — CID 2738582

IUPAC2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1CN(CC(O)C(F)(F)F)CCO1
InChIInChI=1S/C16H17F3N2O4/c17-16(18,19)13(22)9-20-5-6-25-10(7-20)8-21-14(23)11-3-1-2-4-12(11)15(21)24/h1-4,10,13,22H,5-9H2
InChIKeyCBVSSKAYGFLIJN-UHFFFAOYSA-N
MW358.32 g/mol
LogP0.91
Rot. Bonds4

About 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione

2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 2738582) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione
PubChem CID2738582
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC Name2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1CN(CC(O)C(F)(F)F)CCO1
InChIInChI=1S/C16H17F3N2O4/c17-16(18,19)13(22)9-20-5-6-25-10(7-20)8-21-14(23)11-3-1-2-4-12(11)15(21)24/h1-4,10,13,22H,5-9H2
InChIKeyCBVSSKAYGFLIJN-UHFFFAOYSA-N
XLogP0.91
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

N-(2,3-Epoxypropyl)phthalimide
CID 21601
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
N-(2-Hydroxyethyl)phthalimide
CID 77499
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
ST012869
CID 779502
1,3-Diphthalimido-2-propanol
CID 97130
2-(Morpholin-4-ylmethyl)isoindole-1,3-dione
CID 230343
2-[4-(2,6-dimethyl-4-morpholinyl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
CID 18108378
2-[(2,6-Dimethylmorpholin-4-yl)methyl]isoindole-1,3-dione
CID 2825914
Ethyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-YL)piperidine-1-carboxylate
CID 5309241
(2R,3R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide
CID 44329673
2-(3-morpholin-4-ylpropyl)-3-oxo-1H-isoindole-4-carboxamide
CID 73776799

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione (CID 2738582) is 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC1CN(CC(O)C(F)(F)F)CCO1.
What is the InChIKey of 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is CBVSSKAYGFLIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c17-16(18,19)13(22)9-20-5-6-25-10(7-20)8-21-14(23)11-3-1-2-4-12(11)15(21)24/h1-4,10,13,22H,5-9H2.
What are the key properties of 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione?
2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 358.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,3,3-trifluoro-2-hydroxypropyl)morpholin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 2738582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).