3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

C10H10F3NO — CID 115095172

IUPAC3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1COc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C10H10F3NO/c1-6-5-15-9-4-7(10(11,12)13)2-3-8(9)14-6/h2-4,6,14H,5H2,1H3
InChIKeyYWKDEYGZISCUPQ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.90
Rot. Bonds

About 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 115095172) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID115095172
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1COc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C10H10F3NO/c1-6-5-15-9-4-7(10(11,12)13)2-3-8(9)14-6/h2-4,6,14H,5H2,1H3
InChIKeyYWKDEYGZISCUPQ-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 3-methyl-7-(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

Related Compounds

3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
8-Ethoxy-2,2-dimethyl-1,2-dihydroquinoline
CID 44383798
4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 43811105
10H-phenoxazine-3-carbonitrile
CID 56680014
3,4-Dihydro-2H-1,4-benzoxazine
CID 585096
8-Methoxy-1,2,3,4-tetrahydroquinoline
CID 5200345
2-methoxy-4-methyl-N-phenylaniline
CID 11984434
N-[[4-[2-[7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethylamino]cyclohexyl]methyl]propane-2-sulfonamide
CID 46209598
8-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 44412696
(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 44411564
3-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 12474572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 115095172) is 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is CC1COc2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is YWKDEYGZISCUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-5-15-9-4-7(10(11,12)13)2-3-8(9)14-6/h2-4,6,14H,5H2,1H3.
What are the key properties of 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-methyl-7-(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 3-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 115095172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).