6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one

C13H10F6N2O2 — CID 54714338

IUPAC6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one
SMILESO=c1cc(O)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H10F6N2O2/c14-12(15,16)5-21(6-13(17,18)19)7-1-2-9-8(3-7)10(22)4-11(23)20-9/h1-4H,5-6H2,(H2,20,22,23)
InChIKeySMMFLUXSBYESHE-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.16
Rot. Bonds3

About 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one

6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one (PubChem CID 54714338) has the molecular formula C13H10F6N2O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one
PubChem CID54714338
Molecular FormulaC13H10F6N2O2
Molecular Weight340.22 g/mol
Exact Mass340.06
IUPAC Name6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one
SMILESO=c1cc(O)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H10F6N2O2/c14-12(15,16)5-21(6-13(17,18)19)7-1-2-9-8(3-7)10(22)4-11(23)20-9/h1-4H,5-6H2,(H2,20,22,23)
InChIKeySMMFLUXSBYESHE-UHFFFAOYSA-N
XLogP3.16
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one (CID 54714338) is 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one is O=c1cc(O)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1.
What is the InChIKey of 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is SMMFLUXSBYESHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N2O2/c14-12(15,16)5-21(6-13(17,18)19)7-1-2-9-8(3-7)10(22)4-11(23)20-9/h1-4H,5-6H2,(H2,20,22,23).
What are the key properties of 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one?
6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 340.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54714338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).