4-(fluoromethyl)morpholin-3-one

C5H8FNO2 — CID 141351256

IUPAC4-(fluoromethyl)morpholin-3-one
SMILESO=C1COCCN1CF
InChIInChI=1S/C5H8FNO2/c6-4-7-1-2-9-3-5(7)8/h1-4H2
InChIKeyDHPHGVRAYPVBLI-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.23
Rot. Bonds1

About 4-(fluoromethyl)morpholin-3-one

4-(fluoromethyl)morpholin-3-one (PubChem CID 141351256) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 4-(fluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(fluoromethyl)morpholin-3-one
PubChem CID141351256
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name4-(fluoromethyl)morpholin-3-one
SMILESO=C1COCCN1CF
InChIInChI=1S/C5H8FNO2/c6-4-7-1-2-9-3-5(7)8/h1-4H2
InChIKeyDHPHGVRAYPVBLI-UHFFFAOYSA-N
XLogP-0.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)morpholin-3-one?
The IUPAC name of 4-(fluoromethyl)morpholin-3-one (CID 141351256) is 4-(fluoromethyl)morpholin-3-one.
What is the SMILES notation for 4-(fluoromethyl)morpholin-3-one?
The canonical SMILES for 4-(fluoromethyl)morpholin-3-one is O=C1COCCN1CF.
What is the InChIKey of 4-(fluoromethyl)morpholin-3-one?
The InChIKey is DHPHGVRAYPVBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-4-7-1-2-9-3-5(7)8/h1-4H2.
What are the key properties of 4-(fluoromethyl)morpholin-3-one?
4-(fluoromethyl)morpholin-3-one has a molecular weight of 133.12 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)morpholin-3-one is sourced from PubChem (CID 141351256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).