2-(trifluoromethyl)-2H-1,4-oxazine

C5H4F3NO — CID 174444661

IUPAC2-(trifluoromethyl)-2H-1,4-oxazine
SMILESFC(F)(F)C1C=NC=CO1
InChIInChI=1S/C5H4F3NO/c6-5(7,8)4-3-9-1-2-10-4/h1-4H
InChIKeyPQNCERXIPJYKQJ-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.49
Rot. Bonds

About 2-(trifluoromethyl)-2H-1,4-oxazine

2-(trifluoromethyl)-2H-1,4-oxazine (PubChem CID 174444661) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2H-1,4-oxazine.

Molecular Properties

Compound Name2-(trifluoromethyl)-2H-1,4-oxazine
PubChem CID174444661
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name2-(trifluoromethyl)-2H-1,4-oxazine
SMILESFC(F)(F)C1C=NC=CO1
InChIInChI=1S/C5H4F3NO/c6-5(7,8)4-3-9-1-2-10-4/h1-4H
InChIKeyPQNCERXIPJYKQJ-UHFFFAOYSA-N
XLogP1.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2H-1,4-oxazine?
The IUPAC name of 2-(trifluoromethyl)-2H-1,4-oxazine (CID 174444661) is 2-(trifluoromethyl)-2H-1,4-oxazine.
What is the SMILES notation for 2-(trifluoromethyl)-2H-1,4-oxazine?
The canonical SMILES for 2-(trifluoromethyl)-2H-1,4-oxazine is FC(F)(F)C1C=NC=CO1.
What is the InChIKey of 2-(trifluoromethyl)-2H-1,4-oxazine?
The InChIKey is PQNCERXIPJYKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c6-5(7,8)4-3-9-1-2-10-4/h1-4H.
What are the key properties of 2-(trifluoromethyl)-2H-1,4-oxazine?
2-(trifluoromethyl)-2H-1,4-oxazine has a molecular weight of 151.09 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2H-1,4-oxazine is sourced from PubChem (CID 174444661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).