6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one

C14H9F9N2O — CID 146158605

IUPAC6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2=CC(N(CC(F)(F)F)CC(F)(F)F)C=CC2=N1
InChIInChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4,7H,5-6H2
InChIKeyMVIOLMYKJMGQCN-UHFFFAOYSA-N
MW392.22 g/mol
LogP3.75
Rot. Bonds3

About 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one

6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one (PubChem CID 146158605) has the molecular formula C14H9F9N2O and a molecular weight of 392.22 g/mol. Its IUPAC name is 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one
PubChem CID146158605
Molecular FormulaC14H9F9N2O
Molecular Weight392.22 g/mol
Exact Mass392.06
IUPAC Name6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2=CC(N(CC(F)(F)F)CC(F)(F)F)C=CC2=N1
InChIInChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4,7H,5-6H2
InChIKeyMVIOLMYKJMGQCN-UHFFFAOYSA-N
XLogP3.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73083461
6-amino-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73240360
6-Methylidene-4-(trifluoromethyl)quinolin-2-one
CID 78177323
3,7-bis(trifluoromethyl)-4aH-quinoxalin-2-one
CID 78180206

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one?
The IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one (CID 146158605) is 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one.
What is the SMILES notation for 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one?
The canonical SMILES for 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one is O=C1C=C(C(F)(F)F)C2=CC(N(CC(F)(F)F)CC(F)(F)F)C=CC2=N1.
What is the InChIKey of 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one?
The InChIKey is MVIOLMYKJMGQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4,7H,5-6H2.
What are the key properties of 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one?
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one has a molecular weight of 392.22 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-6H-quinolin-2-one is sourced from PubChem (CID 146158605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).