(7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

C10H8F3NO2 — CID 97036573

IUPAC(7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1C[C@@H](C(F)(F)F)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)5-3-7-6(8(15)4-5)1-2-9(16)14-7/h1-2,5H,3-4H2,(H,14,16)/t5-/m0/s1
InChIKeyXRTSWUVHDPBKHB-YFKPBYRVSA-N
MW231.17 g/mol
LogP1.68
Rot. Bonds

About (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

(7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 97036573) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID97036573
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name(7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1C[C@@H](C(F)(F)F)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)5-3-7-6(8(15)4-5)1-2-9(16)14-7/h1-2,5H,3-4H2,(H,14,16)/t5-/m0/s1
InChIKeyXRTSWUVHDPBKHB-YFKPBYRVSA-N
XLogP1.68
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-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 (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 97036573) is (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1C[C@@H](C(F)(F)F)Cc2[nH]c(=O)ccc21.
What is the InChIKey of (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is XRTSWUVHDPBKHB-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)5-3-7-6(8(15)4-5)1-2-9(16)14-7/h1-2,5H,3-4H2,(H,14,16)/t5-/m0/s1.
What are the key properties of (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
(7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 231.17 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 97036573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).