8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione

C10H6F3NO3 — CID 170859899

IUPAC8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
SMILESCc1cc(C(F)(F)F)cc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C10H6F3NO3/c1-4-2-5(10(11,12)13)3-6-7(4)14-9(16)17-8(6)15/h2-3H,1H3,(H,14,16)
InChIKeyAGBIWZBRXJLONF-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.81
Rot. Bonds

About 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione

8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione (PubChem CID 170859899) has the molecular formula C10H6F3NO3 and a molecular weight of 245.16 g/mol. Its IUPAC name is 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
PubChem CID170859899
Molecular FormulaC10H6F3NO3
Molecular Weight245.16 g/mol
Exact Mass245.03
IUPAC Name8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
SMILESCc1cc(C(F)(F)F)cc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C10H6F3NO3/c1-4-2-5(10(11,12)13)3-6-7(4)14-9(16)17-8(6)15/h2-3H,1H3,(H,14,16)
InChIKeyAGBIWZBRXJLONF-UHFFFAOYSA-N
XLogP1.81
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione (CID 170859899) is 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione is Cc1cc(C(F)(F)F)cc2c(=O)oc(=O)[nH]c12.
What is the InChIKey of 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is AGBIWZBRXJLONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO3/c1-4-2-5(10(11,12)13)3-6-7(4)14-9(16)17-8(6)15/h2-3H,1H3,(H,14,16).
What are the key properties of 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione?
8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 245.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 170859899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).