2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone

C26H23F3N2O3 — CID 3770302

IUPAC2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
SMILESO=C(CC1c2ccccc2-c2ccccc21)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C26H23F3N2O3/c27-26(28,29)17-9-10-24(30-14-17)34-16-18-15-31(11-12-33-18)25(32)13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,14,18,23H,11-13,15-16H2
InChIKeyONKSPFIAQGFXTN-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.91
Rot. Bonds5

About 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone

2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone (PubChem CID 3770302) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
PubChem CID3770302
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC Name2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
SMILESO=C(CC1c2ccccc2-c2ccccc21)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C26H23F3N2O3/c27-26(28,29)17-9-10-24(30-14-17)34-16-18-15-31(11-12-33-18)25(32)13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,14,18,23H,11-13,15-16H2
InChIKeyONKSPFIAQGFXTN-UHFFFAOYSA-N
XLogP4.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone (CID 3770302) is 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone is O=C(CC1c2ccccc2-c2ccccc21)N1CCOC(COc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone?
The InChIKey is ONKSPFIAQGFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c27-26(28,29)17-9-10-24(30-14-17)34-16-18-15-31(11-12-33-18)25(32)13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,14,18,23H,11-13,15-16H2.
What are the key properties of 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone?
2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone has a molecular weight of 468.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 3770302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).