3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one

C12H12F3NO — CID 163893211

IUPAC3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one
SMILESCC1=Cc2[nH]c(=O)c(C)c(C(F)(F)F)c2CC1
InChIInChI=1S/C12H12F3NO/c1-6-3-4-8-9(5-6)16-11(17)7(2)10(8)12(13,14)15/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyQDIYXBPQKDVHOJ-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.05
Rot. Bonds

About 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one

3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one (PubChem CID 163893211) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one
PubChem CID163893211
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one
SMILESCC1=Cc2[nH]c(=O)c(C)c(C(F)(F)F)c2CC1
InChIInChI=1S/C12H12F3NO/c1-6-3-4-8-9(5-6)16-11(17)7(2)10(8)12(13,14)15/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyQDIYXBPQKDVHOJ-UHFFFAOYSA-N
XLogP3.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one?
The IUPAC name of 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one (CID 163893211) is 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one is CC1=Cc2[nH]c(=O)c(C)c(C(F)(F)F)c2CC1.
What is the InChIKey of 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one?
The InChIKey is QDIYXBPQKDVHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-6-3-4-8-9(5-6)16-11(17)7(2)10(8)12(13,14)15/h5H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one?
3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one has a molecular weight of 243.23 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-(trifluoromethyl)-5,6-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163893211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).