6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one

C10H6F3NO2 — CID 14542117

IUPAC6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(C(F)(F)F)oc(=O)c2c1
InChIInChI=1S/C10H6F3NO2/c1-5-2-3-7-6(4-5)8(15)16-9(14-7)10(11,12)13/h2-4H,1H3
InChIKeyLROLPEKXTPRQGJ-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.52
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one

6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one (PubChem CID 14542117) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one
PubChem CID14542117
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(C(F)(F)F)oc(=O)c2c1
InChIInChI=1S/C10H6F3NO2/c1-5-2-3-7-6(4-5)8(15)16-9(14-7)10(11,12)13/h2-4H,1H3
InChIKeyLROLPEKXTPRQGJ-UHFFFAOYSA-N
XLogP2.52
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one (CID 14542117) is 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one is Cc1ccc2nc(C(F)(F)F)oc(=O)c2c1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one?
The InChIKey is LROLPEKXTPRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c1-5-2-3-7-6(4-5)8(15)16-9(14-7)10(11,12)13/h2-4H,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one?
6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one has a molecular weight of 229.16 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 14542117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).