2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone

C20H18F3NO4 — CID 59492557

IUPAC2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCOCC1
InChIInChI=1S/C20H18F3NO4/c21-20(22,23)19(26)16-4-2-1-3-14(16)15-6-5-13(11-17(15)19)28-12-18(25)24-7-9-27-10-8-24/h1-6,11,26H,7-10,12H2
InChIKeyUGXSKPGLXLVTRI-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.70
Rot. Bonds3

About 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone

2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 59492557) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone
PubChem CID59492557
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCOCC1
InChIInChI=1S/C20H18F3NO4/c21-20(22,23)19(26)16-4-2-1-3-14(16)15-6-5-13(11-17(15)19)28-12-18(25)24-7-9-27-10-8-24/h1-6,11,26H,7-10,12H2
InChIKeyUGXSKPGLXLVTRI-UHFFFAOYSA-N
XLogP2.70
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone (CID 59492557) is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone is O=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCOCC1.
What is the InChIKey of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is UGXSKPGLXLVTRI-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)28-12-18(25)24-7-9-27-10-8-24/h1-6,11,26H,7-10,12H2.
What are the key properties of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone?
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 393.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 59492557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).