1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone

C28H26FNO4 — CID 3768585

IUPAC1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
SMILESCC(=O)c1ccc(OCC2CN(C(=O)CC3c4ccccc4-c4ccccc43)CCO2)cc1F
InChIInChI=1S/C28H26FNO4/c1-18(31)21-11-10-19(14-27(21)29)34-17-20-16-30(12-13-33-20)28(32)15-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26/h2-11,14,20,26H,12-13,15-17H2,1H3
InChIKeyWJNMBAOZDFSPLD-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.84
Rot. Bonds6

About 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone

1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone (PubChem CID 3768585) has the molecular formula C28H26FNO4 and a molecular weight of 459.52 g/mol. Its IUPAC name is 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone.

Molecular Properties

Compound Name1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
PubChem CID3768585
Molecular FormulaC28H26FNO4
Molecular Weight459.52 g/mol
Exact Mass459.18
IUPAC Name1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
SMILESCC(=O)c1ccc(OCC2CN(C(=O)CC3c4ccccc4-c4ccccc43)CCO2)cc1F
InChIInChI=1S/C28H26FNO4/c1-18(31)21-11-10-19(14-27(21)29)34-17-20-16-30(12-13-33-20)28(32)15-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26/h2-11,14,20,26H,12-13,15-17H2,1H3
InChIKeyWJNMBAOZDFSPLD-UHFFFAOYSA-N
XLogP4.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?
The IUPAC name of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone (CID 3768585) is 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone.
What is the SMILES notation for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?
The canonical SMILES for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone is CC(=O)c1ccc(OCC2CN(C(=O)CC3c4ccccc4-c4ccccc43)CCO2)cc1F.
What is the InChIKey of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?
The InChIKey is WJNMBAOZDFSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FNO4/c1-18(31)21-11-10-19(14-27(21)29)34-17-20-16-30(12-13-33-20)28(32)15-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26/h2-11,14,20,26H,12-13,15-17H2,1H3.
What are the key properties of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone has a molecular weight of 459.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone is sourced from PubChem (CID 3768585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).