1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one

C12H14F3NO — CID 59284268

IUPAC1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1c(C(F)(F)F)c2c(n(C)c1=O)CCCC2
InChIInChI=1S/C12H14F3NO/c1-7-10(12(13,14)15)8-5-3-4-6-9(8)16(2)11(7)17/h3-6H2,1-2H3
InChIKeyRMITYQOBEZFKSR-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.59
Rot. Bonds

About 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one

1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 59284268) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID59284268
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1c(C(F)(F)F)c2c(n(C)c1=O)CCCC2
InChIInChI=1S/C12H14F3NO/c1-7-10(12(13,14)15)8-5-3-4-6-9(8)16(2)11(7)17/h3-6H2,1-2H3
InChIKeyRMITYQOBEZFKSR-UHFFFAOYSA-N
XLogP2.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 59284268) is 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one is Cc1c(C(F)(F)F)c2c(n(C)c1=O)CCCC2.
What is the InChIKey of 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is RMITYQOBEZFKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-7-10(12(13,14)15)8-5-3-4-6-9(8)16(2)11(7)17/h3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 245.24 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 59284268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).