2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine

C5H8FNO — CID 174964397

IUPAC2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine
SMILESCN1C=COC(F)C1
InChIInChI=1S/C5H8FNO/c1-7-2-3-8-5(6)4-7/h2-3,5H,4H2,1H3
InChIKeyIHJGNBMALWZUOU-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.72
Rot. Bonds

About 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine

2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine (PubChem CID 174964397) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine.

Molecular Properties

Compound Name2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine
PubChem CID174964397
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine
SMILESCN1C=COC(F)C1
InChIInChI=1S/C5H8FNO/c1-7-2-3-8-5(6)4-7/h2-3,5H,4H2,1H3
InChIKeyIHJGNBMALWZUOU-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine?
The IUPAC name of 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine (CID 174964397) is 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine.
What is the SMILES notation for 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine?
The canonical SMILES for 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine is CN1C=COC(F)C1.
What is the InChIKey of 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine?
The InChIKey is IHJGNBMALWZUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-7-2-3-8-5(6)4-7/h2-3,5H,4H2,1H3.
What are the key properties of 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine?
2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine has a molecular weight of 117.12 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-2,3-dihydro-1,4-oxazine is sourced from PubChem (CID 174964397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).