4-fluoro-4,6-dimethyloxazine

C6H8FNO — CID 123497972

IUPAC4-fluoro-4,6-dimethyloxazine
SMILESCC1=CC(C)(F)C=NO1
InChIInChI=1S/C6H8FNO/c1-5-3-6(2,7)4-8-9-5/h3-4H,1-2H3
InChIKeyFKKJAQIFUOJZLU-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.63
Rot. Bonds

About 4-fluoro-4,6-dimethyloxazine

4-fluoro-4,6-dimethyloxazine (PubChem CID 123497972) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-fluoro-4,6-dimethyloxazine.

Molecular Properties

Compound Name4-fluoro-4,6-dimethyloxazine
PubChem CID123497972
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-fluoro-4,6-dimethyloxazine
SMILESCC1=CC(C)(F)C=NO1
InChIInChI=1S/C6H8FNO/c1-5-3-6(2,7)4-8-9-5/h3-4H,1-2H3
InChIKeyFKKJAQIFUOJZLU-UHFFFAOYSA-N
XLogP1.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-fluoro-4,6-dimethyloxazine
CID 144170222
6-methyl-4H-oxazine
CID 53748597
4-ethyl-6-methyl-4H-oxazine
CID 123962480
4,4,6-Trimethyloxazine
CID 123976954
4,6-dimethyl-4H-oxazine
CID 141827085
2-Methylpropane;4,4,6-trimethyloxazine
CID 155597159
(Z)-N-[(Z)-pent-2-en-3-yl]oxyethanimine
CID 177998109

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,6-dimethyloxazine?
The IUPAC name of 4-fluoro-4,6-dimethyloxazine (CID 123497972) is 4-fluoro-4,6-dimethyloxazine.
What is the SMILES notation for 4-fluoro-4,6-dimethyloxazine?
The canonical SMILES for 4-fluoro-4,6-dimethyloxazine is CC1=CC(C)(F)C=NO1.
What is the InChIKey of 4-fluoro-4,6-dimethyloxazine?
The InChIKey is FKKJAQIFUOJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-5-3-6(2,7)4-8-9-5/h3-4H,1-2H3.
What are the key properties of 4-fluoro-4,6-dimethyloxazine?
4-fluoro-4,6-dimethyloxazine has a molecular weight of 129.13 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,6-dimethyloxazine is sourced from PubChem (CID 123497972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).