4-(fluoromethyl)-1,3-oxazinan-2-one

C5H8FNO2 — CID 118288677

IUPAC4-(fluoromethyl)-1,3-oxazinan-2-one
SMILESO=C1NC(CF)CCO1
InChIInChI=1S/C5H8FNO2/c6-3-4-1-2-9-5(8)7-4/h4H,1-3H2,(H,7,8)
InChIKeyJBTJDBODRZDETQ-UHFFFAOYSA-N
MW133.12 g/mol
LogP0.45
Rot. Bonds1

About 4-(fluoromethyl)-1,3-oxazinan-2-one

4-(fluoromethyl)-1,3-oxazinan-2-one (PubChem CID 118288677) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3-oxazinan-2-one
PubChem CID118288677
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name4-(fluoromethyl)-1,3-oxazinan-2-one
SMILESO=C1NC(CF)CCO1
InChIInChI=1S/C5H8FNO2/c6-3-4-1-2-9-5(8)7-4/h4H,1-3H2,(H,7,8)
InChIKeyJBTJDBODRZDETQ-UHFFFAOYSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3-oxazinan-2-one?
The IUPAC name of 4-(fluoromethyl)-1,3-oxazinan-2-one (CID 118288677) is 4-(fluoromethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 4-(fluoromethyl)-1,3-oxazinan-2-one is O=C1NC(CF)CCO1.
What is the InChIKey of 4-(fluoromethyl)-1,3-oxazinan-2-one?
The InChIKey is JBTJDBODRZDETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-3-4-1-2-9-5(8)7-4/h4H,1-3H2,(H,7,8).
What are the key properties of 4-(fluoromethyl)-1,3-oxazinan-2-one?
4-(fluoromethyl)-1,3-oxazinan-2-one has a molecular weight of 133.12 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 118288677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).