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

C10H8F3NO2 — CID 2739695

IUPAC4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)5-4-8(16)14-6-2-1-3-7(15)9(5)6/h4H,1-3H2,(H,14,16)
InChIKeyQPXRZXPWXSRHCX-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.91
Rot. Bonds

About 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 2739695) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID2739695
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)5-4-8(16)14-6-2-1-3-7(15)9(5)6/h4H,1-3H2,(H,14,16)
InChIKeyQPXRZXPWXSRHCX-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-7,8-dihydro-5(6H)-quinolinone
CID 267450
2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2801374
2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 13005093
1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 3647550
2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 23224237
4-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione
CID 129078784
6-Fluoro-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 152126225
1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 156504687
6-(4-oxocyclohexyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 163370238
6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 163370298
4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one
CID 163370340
4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 168966807

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 2739695) is 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1CCCc2[nH]c(=O)cc(C(F)(F)F)c21.
What is the InChIKey of 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is QPXRZXPWXSRHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)5-4-8(16)14-6-2-1-3-7(15)9(5)6/h4H,1-3H2,(H,14,16).
What are the key properties of 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 231.17 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 2739695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).