4-methyl-1,4-oxazine;hydrofluoride

C5H8FNO — CID 175193945

IUPAC4-methyl-1,4-oxazine;hydrofluoride
SMILESCN1C=COC=C1.F
InChIInChI=1S/C5H7NO.FH/c1-6-2-4-7-5-3-6;/h2-5H,1H3;1H
InChIKeyPSAZVWIVYUGPPK-UHFFFAOYSA-N
MW117.12 g/mol
LogP1.04
Rot. Bonds

About 4-methyl-1,4-oxazine;hydrofluoride

4-methyl-1,4-oxazine;hydrofluoride (PubChem CID 175193945) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 4-methyl-1,4-oxazine;hydrofluoride.

Molecular Properties

Compound Name4-methyl-1,4-oxazine;hydrofluoride
PubChem CID175193945
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name4-methyl-1,4-oxazine;hydrofluoride
SMILESCN1C=COC=C1.F
InChIInChI=1S/C5H7NO.FH/c1-6-2-4-7-5-3-6;/h2-5H,1H3;1H
InChIKeyPSAZVWIVYUGPPK-UHFFFAOYSA-N
XLogP1.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-oxazine;hydrofluoride?
The IUPAC name of 4-methyl-1,4-oxazine;hydrofluoride (CID 175193945) is 4-methyl-1,4-oxazine;hydrofluoride.
What is the SMILES notation for 4-methyl-1,4-oxazine;hydrofluoride?
The canonical SMILES for 4-methyl-1,4-oxazine;hydrofluoride is CN1C=COC=C1.F.
What is the InChIKey of 4-methyl-1,4-oxazine;hydrofluoride?
The InChIKey is PSAZVWIVYUGPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.FH/c1-6-2-4-7-5-3-6;/h2-5H,1H3;1H.
What are the key properties of 4-methyl-1,4-oxazine;hydrofluoride?
4-methyl-1,4-oxazine;hydrofluoride has a molecular weight of 117.12 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-oxazine;hydrofluoride is sourced from PubChem (CID 175193945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).