6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine

C7H10F3NO — CID 20726710

IUPAC6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine
SMILESCCC1CCC(C(F)(F)F)=NO1
InChIInChI=1S/C7H10F3NO/c1-2-5-3-4-6(11-12-5)7(8,9)10/h5H,2-4H2,1H3
InChIKeyIHCAARMIMIMYKE-UHFFFAOYSA-N
MW181.16 g/mol
LogP2.49
Rot. Bonds1

About 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine

6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine (PubChem CID 20726710) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine
PubChem CID20726710
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine
SMILESCCC1CCC(C(F)(F)F)=NO1
InChIInChI=1S/C7H10F3NO/c1-2-5-3-4-6(11-12-5)7(8,9)10/h5H,2-4H2,1H3
InChIKeyIHCAARMIMIMYKE-UHFFFAOYSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine?
The IUPAC name of 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine (CID 20726710) is 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine?
The canonical SMILES for 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine is CCC1CCC(C(F)(F)F)=NO1.
What is the InChIKey of 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine?
The InChIKey is IHCAARMIMIMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-2-5-3-4-6(11-12-5)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine?
6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine has a molecular weight of 181.16 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 20726710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).