4-[(4-fluorophenyl)methyl]morpholin-3-one

C11H12FNO2 — CID 18933419

IUPAC4-[(4-fluorophenyl)methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-10-3-1-9(2-4-10)7-13-5-6-15-8-11(13)14/h1-4H,5-8H2
InChIKeyISMRSPJJNVXKKA-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.18
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]morpholin-3-one

4-[(4-fluorophenyl)methyl]morpholin-3-one (PubChem CID 18933419) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]morpholin-3-one
PubChem CID18933419
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name4-[(4-fluorophenyl)methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-10-3-1-9(2-4-10)7-13-5-6-15-8-11(13)14/h1-4H,5-8H2
InChIKeyISMRSPJJNVXKKA-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]morpholin-3-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]morpholin-3-one (CID 18933419) is 4-[(4-fluorophenyl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]morpholin-3-one is O=C1COCCN1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]morpholin-3-one?
The InChIKey is ISMRSPJJNVXKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-10-3-1-9(2-4-10)7-13-5-6-15-8-11(13)14/h1-4H,5-8H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]morpholin-3-one?
4-[(4-fluorophenyl)methyl]morpholin-3-one has a molecular weight of 209.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]morpholin-3-one is sourced from PubChem (CID 18933419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).