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

C10H10F3NO — CID 168966807

IUPAC4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2c([nH]1)CCCC2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,14,15)
InChIKeyYXAIOKONJDLJLC-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.27
Rot. Bonds

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

4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 168966807) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID168966807
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2c([nH]1)CCCC2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,14,15)
InChIKeyYXAIOKONJDLJLC-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

4-(trifluoromethyl)-1H,2H,5H,6H,7H-cyclopenta(b)pyridin-2-one
CID 46942366
1,2,5,6,7,8-Hexahydroquinolin-2-one
CID 264106
5,6,7,8,9,10,11,12,13,14-Decahydro-1H-cyclododeca[b]pyridin-2-one
CID 794271
4-(Trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 2739695
1,5,6,7,8,9-Hexahydro-2h-cyclohepta[b]pyridin-2-one
CID 289265
1,2,5,6,7,8-Hexahydro-2-oxo-4-(trifluoromethyl)-3-quinolinecarbonitrile
CID 15500438
4-Methyl-5,6,7,8-tetrahydroquinolin-2(1h)-one
CID 289263
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2H-isoquinolin-3-one
CID 14114910
4-Methyl-1,5,6,7,8,9-hexahydro-2h-cyclohepta[b]pyridin-2-one
CID 289264
5,6,7,8,9,10-Hexahydrocycloocta[b]pyridin-2(1H)-one
CID 24808502
4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
CID 69330190
6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
CID 70023407

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 168966807) is 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2c([nH]1)CCCC2.
What is the InChIKey of 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is YXAIOKONJDLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,14,15).
What are the key properties of 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-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 4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 168966807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).