2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

C10H10F3NO — CID 15171318

IUPAC2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c1CCCC2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h5H,1-4H2,(H,14,15)
InChIKeyVIVPGDNLTKPPHN-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.27
Rot. Bonds

About 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 15171318) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID15171318
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c1CCCC2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h5H,1-4H2,(H,14,15)
InChIKeyVIVPGDNLTKPPHN-UHFFFAOYSA-N
XLogP2.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 44560612
9H-Cyclopenta(b)quinolin-9-one, 1,2,3,4,5,6,7,8-octahydro-
CID 3041823
2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
1-(2-Aminocyclohex-1-en-1-yl)-2,2,2-trifluoroethan-1-one
CID 15398095
2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 23224237
2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285879
2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285891
2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129299424
2,3-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129299425
2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
CID 145341638
2,3-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
CID 145341659
1,3,4,5,6,7,8,10-Octahydro-2H-acridin-9-one
CID 58869997

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 15171318) is 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2c1CCCC2.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is VIVPGDNLTKPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h5H,1-4H2,(H,14,15).
What are the key properties of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 217.19 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 15171318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).