7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C12H8F6N2O — CID 22279116

IUPAC7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)5-19-6-1-2-7-8(12(16,17)18)4-10(21)20-9(7)3-6/h1-4,19H,5H2,(H,20,21)
InChIKeyCCHQAGTYRRITNM-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.52
Rot. Bonds2

About 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279116) has the molecular formula C12H8F6N2O and a molecular weight of 310.20 g/mol. Its IUPAC name is 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279116
Molecular FormulaC12H8F6N2O
Molecular Weight310.20 g/mol
Exact Mass310.05
IUPAC Name7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)5-19-6-1-2-7-8(12(16,17)18)4-10(21)20-9(7)3-6/h1-4,19H,5H2,(H,20,21)
InChIKeyCCHQAGTYRRITNM-UHFFFAOYSA-N
XLogP3.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279116) is 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)F)cc2[nH]1.
What is the InChIKey of 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is CCHQAGTYRRITNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2O/c13-11(14,15)5-19-6-1-2-7-8(12(16,17)18)4-10(21)20-9(7)3-6/h1-4,19H,5H2,(H,20,21).
What are the key properties of 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 310.20 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).