4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione

C10H9F3O3 — CID 102340389

IUPAC4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
SMILESO=C1CC(C(F)(F)F)C2=C(CCCC2=O)O1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)5-4-8(15)16-7-3-1-2-6(14)9(5)7/h5H,1-4H2
InChIKeyAGEMCVLOHBUBGA-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.12
Rot. Bonds

About 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione

4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione (PubChem CID 102340389) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione.

Molecular Properties

Compound Name4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
PubChem CID102340389
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
SMILESO=C1CC(C(F)(F)F)C2=C(CCCC2=O)O1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)5-4-8(15)16-7-3-1-2-6(14)9(5)7/h5H,1-4H2
InChIKeyAGEMCVLOHBUBGA-UHFFFAOYSA-N
XLogP2.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-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 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione?
The IUPAC name of 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione (CID 102340389) is 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione.
What is the SMILES notation for 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione?
The canonical SMILES for 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione is O=C1CC(C(F)(F)F)C2=C(CCCC2=O)O1.
What is the InChIKey of 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione?
The InChIKey is AGEMCVLOHBUBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)5-4-8(15)16-7-3-1-2-6(14)9(5)7/h5H,1-4H2.
What are the key properties of 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione?
4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione has a molecular weight of 234.17 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione is sourced from PubChem (CID 102340389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).