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

C11H12F3NO — CID 132966354

IUPAC1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(cc(C(F)(F)F)c1=O)CCCC2
InChIInChI=1S/C11H12F3NO/c1-15-9-5-3-2-4-7(9)6-8(10(15)16)11(12,13)14/h6H,2-5H2,1H3
InChIKeyKCPDMRDHQWCYAK-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.28
Rot. Bonds

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

1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 132966354) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID132966354
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(cc(C(F)(F)F)c1=O)CCCC2
InChIInChI=1S/C11H12F3NO/c1-15-9-5-3-2-4-7(9)6-8(10(15)16)11(12,13)14/h6H,2-5H2,1H3
InChIKeyKCPDMRDHQWCYAK-UHFFFAOYSA-N
XLogP2.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 132966354) is 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one is Cn1c2c(cc(C(F)(F)F)c1=O)CCCC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is KCPDMRDHQWCYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-15-9-5-3-2-4-7(9)6-8(10(15)16)11(12,13)14/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one?
1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 231.22 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 132966354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).