4-benzyl-5-(fluoromethyl)morpholin-3-one

C12H14FNO2 — CID 77422782

IUPAC4-benzyl-5-(fluoromethyl)morpholin-3-one
SMILESO=C1COCC(CF)N1Cc1ccccc1
InChIInChI=1S/C12H14FNO2/c13-6-11-8-16-9-12(15)14(11)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyIWOOXVIRXCFKBK-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.38
Rot. Bonds3

About 4-benzyl-5-(fluoromethyl)morpholin-3-one

4-benzyl-5-(fluoromethyl)morpholin-3-one (PubChem CID 77422782) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-benzyl-5-(fluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-(fluoromethyl)morpholin-3-one
PubChem CID77422782
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-benzyl-5-(fluoromethyl)morpholin-3-one
SMILESO=C1COCC(CF)N1Cc1ccccc1
InChIInChI=1S/C12H14FNO2/c13-6-11-8-16-9-12(15)14(11)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyIWOOXVIRXCFKBK-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(fluoromethyl)morpholin-3-one?
The IUPAC name of 4-benzyl-5-(fluoromethyl)morpholin-3-one (CID 77422782) is 4-benzyl-5-(fluoromethyl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-5-(fluoromethyl)morpholin-3-one?
The canonical SMILES for 4-benzyl-5-(fluoromethyl)morpholin-3-one is O=C1COCC(CF)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-(fluoromethyl)morpholin-3-one?
The InChIKey is IWOOXVIRXCFKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-6-11-8-16-9-12(15)14(11)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 4-benzyl-5-(fluoromethyl)morpholin-3-one?
4-benzyl-5-(fluoromethyl)morpholin-3-one has a molecular weight of 223.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(fluoromethyl)morpholin-3-one is sourced from PubChem (CID 77422782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).