2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

C10H10F3NO — CID 79016930

IUPAC2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C10H10F3NO/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3
InChIKeyTWFYPTBFWDSAGZ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.90
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 79016930) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID79016930
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C10H10F3NO/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3
InChIKeyTWFYPTBFWDSAGZ-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine 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 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 79016930) is 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is CC1CNc2cc(C(F)(F)F)ccc2O1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is TWFYPTBFWDSAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 217.19 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 79016930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).