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

C9H4F3NO3 — CID 12592798

IUPAC8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2c(C(F)(F)F)cccc2c(=O)o1
InChIInChI=1S/C9H4F3NO3/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)16-7(4)14/h1-3H,(H,13,15)
InChIKeyFWLOMSMDWVUGDL-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.50
Rot. Bonds

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

8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione (PubChem CID 12592798) has the molecular formula C9H4F3NO3 and a molecular weight of 231.13 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
PubChem CID12592798
Molecular FormulaC9H4F3NO3
Molecular Weight231.13 g/mol
Exact Mass231.01
IUPAC Name8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
SMILESO=c1[nH]c2c(C(F)(F)F)cccc2c(=O)o1
InChIInChI=1S/C9H4F3NO3/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)16-7(4)14/h1-3H,(H,13,15)
InChIKeyFWLOMSMDWVUGDL-UHFFFAOYSA-N
XLogP1.50
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione 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 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione (CID 12592798) is 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione is O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)o1.
What is the InChIKey of 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is FWLOMSMDWVUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO3/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)16-7(4)14/h1-3H,(H,13,15).
What are the key properties of 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione?
8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 231.13 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 12592798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).