5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine

C11H10F3NO — CID 167499962

IUPAC5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine
SMILESFC(F)(F)c1ccc(C2=NCCOC2)cc1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4H,5-7H2
InChIKeyXETMPODQNDFLNR-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.52
Rot. Bonds1

About 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine

5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine (PubChem CID 167499962) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine
PubChem CID167499962
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine
SMILESFC(F)(F)c1ccc(C2=NCCOC2)cc1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4H,5-7H2
InChIKeyXETMPODQNDFLNR-UHFFFAOYSA-N
XLogP2.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine (CID 167499962) is 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine is FC(F)(F)c1ccc(C2=NCCOC2)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine?
The InChIKey is XETMPODQNDFLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4H,5-7H2.
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine?
5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine has a molecular weight of 229.20 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 167499962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).