3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione

C17H13F2NO3 — CID 3615800

IUPAC3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione
SMILESO=C1OCC(=O)N(Cc2ccc(F)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H13F2NO3/c18-13-5-1-11(2-6-13)9-20-15(21)10-23-17(22)16(20)12-3-7-14(19)8-4-12/h1-8,16H,9-10H2
InChIKeyFFNRSLPHXVLIET-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.59
Rot. Bonds3

About 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione

3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione (PubChem CID 3615800) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione
PubChem CID3615800
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione
SMILESO=C1OCC(=O)N(Cc2ccc(F)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H13F2NO3/c18-13-5-1-11(2-6-13)9-20-15(21)10-23-17(22)16(20)12-3-7-14(19)8-4-12/h1-8,16H,9-10H2
InChIKeyFFNRSLPHXVLIET-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione (CID 3615800) is 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione is O=C1OCC(=O)N(Cc2ccc(F)cc2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione?
The InChIKey is FFNRSLPHXVLIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c18-13-5-1-11(2-6-13)9-20-15(21)10-23-17(22)16(20)12-3-7-14(19)8-4-12/h1-8,16H,9-10H2.
What are the key properties of 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione?
3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione has a molecular weight of 317.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione is sourced from PubChem (CID 3615800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).