3-methyl-2-(trifluoromethyl)-1,3-oxazinane

C6H10F3NO — CID 145167703

IUPAC3-methyl-2-(trifluoromethyl)-1,3-oxazinane
SMILESCN1CCCOC1C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10-3-2-4-11-5(10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyNQCHGVLZJKNHMC-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.23
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-1,3-oxazinane

3-methyl-2-(trifluoromethyl)-1,3-oxazinane (PubChem CID 145167703) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-1,3-oxazinane.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-1,3-oxazinane
PubChem CID145167703
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-methyl-2-(trifluoromethyl)-1,3-oxazinane
SMILESCN1CCCOC1C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10-3-2-4-11-5(10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyNQCHGVLZJKNHMC-UHFFFAOYSA-N
XLogP1.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(trifluoromethyl)-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-1,3-oxazinane?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-1,3-oxazinane (CID 145167703) is 3-methyl-2-(trifluoromethyl)-1,3-oxazinane.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-1,3-oxazinane?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-1,3-oxazinane is CN1CCCOC1C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-1,3-oxazinane?
The InChIKey is NQCHGVLZJKNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-3-2-4-11-5(10)6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-1,3-oxazinane?
3-methyl-2-(trifluoromethyl)-1,3-oxazinane has a molecular weight of 169.15 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-1,3-oxazinane is sourced from PubChem (CID 145167703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).