3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine

C11H12F3NO — CID 165051003

IUPAC3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1cc2c(c(C(F)(F)F)c1)CN(C)CO2
InChIInChI=1S/C11H12F3NO/c1-7-3-9(11(12,13)14)8-5-15(2)6-16-10(8)4-7/h3-4H,5-6H2,1-2H3
InChIKeyWDZHUJJSKAUHJR-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.80
Rot. Bonds

About 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine

3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 165051003) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID165051003
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1cc2c(c(C(F)(F)F)c1)CN(C)CO2
InChIInChI=1S/C11H12F3NO/c1-7-3-9(11(12,13)14)8-5-15(2)6-16-10(8)4-7/h3-4H,5-6H2,1-2H3
InChIKeyWDZHUJJSKAUHJR-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine (CID 165051003) is 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine is Cc1cc2c(c(C(F)(F)F)c1)CN(C)CO2.
What is the InChIKey of 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is WDZHUJJSKAUHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7-3-9(11(12,13)14)8-5-15(2)6-16-10(8)4-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine?
3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 231.22 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 165051003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).