6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine

C11H11BrF3NO — CID 23435572

IUPAC6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
SMILESCC1(C)OC(C(F)(F)F)Nc2ccc(Br)cc21
InChIInChI=1S/C11H11BrF3NO/c1-10(2)7-5-6(12)3-4-8(7)16-9(17-10)11(13,14)15/h3-5,9,16H,1-2H3
InChIKeyBDZXCYUZBPEOOJ-UHFFFAOYSA-N
MW310.11 g/mol
LogP4.01
Rot. Bonds

About 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine

6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine (PubChem CID 23435572) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
PubChem CID23435572
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
SMILESCC1(C)OC(C(F)(F)F)Nc2ccc(Br)cc21
InChIInChI=1S/C11H11BrF3NO/c1-10(2)7-5-6(12)3-4-8(7)16-9(17-10)11(13,14)15/h3-5,9,16H,1-2H3
InChIKeyBDZXCYUZBPEOOJ-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-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 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine (CID 23435572) is 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine is CC1(C)OC(C(F)(F)F)Nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine?
The InChIKey is BDZXCYUZBPEOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-10(2)7-5-6(12)3-4-8(7)16-9(17-10)11(13,14)15/h3-5,9,16H,1-2H3.
What are the key properties of 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine?
6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine has a molecular weight of 310.11 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 23435572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).