1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one

C11H14F3NO — CID 71737239

IUPAC1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one
SMILESCN1C(=O)C(C(F)(F)F)=CC2CCCCC21
InChIInChI=1S/C11H14F3NO/c1-15-9-5-3-2-4-7(9)6-8(10(15)16)11(12,13)14/h6-7,9H,2-5H2,1H3
InChIKeyHWNYVHRWUXBFPM-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.51
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one

1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one (PubChem CID 71737239) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one
PubChem CID71737239
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one
SMILESCN1C(=O)C(C(F)(F)F)=CC2CCCCC21
InChIInChI=1S/C11H14F3NO/c1-15-9-5-3-2-4-7(9)6-8(10(15)16)11(12,13)14/h6-7,9H,2-5H2,1H3
InChIKeyHWNYVHRWUXBFPM-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one (CID 71737239) is 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one is CN1C(=O)C(C(F)(F)F)=CC2CCCCC21.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one?
The InChIKey is HWNYVHRWUXBFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-15-9-5-3-2-4-7(9)6-8(10(15)16)11(12,13)14/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one?
1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinolin-2-one is sourced from PubChem (CID 71737239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).