4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one

C20H18F3NO4 — CID 59493149

IUPAC4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one
SMILESO=C1COCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H18F3NO4/c21-20(22,23)19(26)16-4-2-1-3-14(16)15-6-5-13(11-17(15)19)28-10-8-24-7-9-27-12-18(24)25/h1-6,11,26H,7-10,12H2
InChIKeyXKRXPLUOTRHVSL-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.70
Rot. Bonds4

About 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one

4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one (PubChem CID 59493149) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one
PubChem CID59493149
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC Name4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one
SMILESO=C1COCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H18F3NO4/c21-20(22,23)19(26)16-4-2-1-3-14(16)15-6-5-13(11-17(15)19)28-10-8-24-7-9-27-12-18(24)25/h1-6,11,26H,7-10,12H2
InChIKeyXKRXPLUOTRHVSL-UHFFFAOYSA-N
XLogP2.70
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one?
The IUPAC name of 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one (CID 59493149) is 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one is O=C1COCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one?
The InChIKey is XKRXPLUOTRHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO4/c21-20(22,23)19(26)16-4-2-1-3-14(16)15-6-5-13(11-17(15)19)28-10-8-24-7-9-27-12-18(24)25/h1-6,11,26H,7-10,12H2.
What are the key properties of 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one?
4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one has a molecular weight of 393.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one is sourced from PubChem (CID 59493149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).