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

C11H12F3NO — CID 54022423

IUPAC4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
SMILESCC1(C)OC(C(F)(F)F)Nc2ccccc21
InChIInChI=1S/C11H12F3NO/c1-10(2)7-5-3-4-6-8(7)15-9(16-10)11(12,13)14/h3-6,9,15H,1-2H3
InChIKeyKZWAZZOIDHNGBY-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.25
Rot. Bonds

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

4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine (PubChem CID 54022423) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
PubChem CID54022423
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
SMILESCC1(C)OC(C(F)(F)F)Nc2ccccc21
InChIInChI=1S/C11H12F3NO/c1-10(2)7-5-3-4-6-8(7)15-9(16-10)11(12,13)14/h3-6,9,15H,1-2H3
InChIKeyKZWAZZOIDHNGBY-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine (CID 54022423) is 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine is CC1(C)OC(C(F)(F)F)Nc2ccccc21.
What is the InChIKey of 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine?
The InChIKey is KZWAZZOIDHNGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-10(2)7-5-3-4-6-8(7)15-9(16-10)11(12,13)14/h3-6,9,15H,1-2H3.
What are the key properties of 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine?
4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine has a molecular weight of 231.22 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 54022423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).