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

C6H8F3NO — CID 58815448

IUPAC3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c1-4-2-3-5(11-10-4)6(7,8)9/h5H,2-3H2,1H3
InChIKeyCEOMKRSNOFLQBQ-UHFFFAOYSA-N
MW167.13 g/mol
LogP2.10
Rot. Bonds

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

3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine (PubChem CID 58815448) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine
PubChem CID58815448
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c1-4-2-3-5(11-10-4)6(7,8)9/h5H,2-3H2,1H3
InChIKeyCEOMKRSNOFLQBQ-UHFFFAOYSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine (CID 58815448) is 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine is CC1=NOC(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine?
The InChIKey is CEOMKRSNOFLQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-4-2-3-5(11-10-4)6(7,8)9/h5H,2-3H2,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine?
3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine has a molecular weight of 167.13 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 58815448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).