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

C13H10F6N2O — CID 23644730

IUPAC6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
SMILESO=c1ccc2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H10F6N2O/c14-12(15,16)6-21(7-13(17,18)19)9-2-3-10-8(5-9)1-4-11(22)20-10/h1-5H,6-7H2,(H,20,22)
InChIKeyFWWVTQIQPUIKFW-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.46
Rot. Bonds3

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

6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one (PubChem CID 23644730) has the molecular formula C13H10F6N2O and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
PubChem CID23644730
Molecular FormulaC13H10F6N2O
Molecular Weight324.22 g/mol
Exact Mass324.07
IUPAC Name6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one
SMILESO=c1ccc2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H10F6N2O/c14-12(15,16)6-21(7-13(17,18)19)9-2-3-10-8(5-9)1-4-11(22)20-10/h1-5H,6-7H2,(H,20,22)
InChIKeyFWWVTQIQPUIKFW-UHFFFAOYSA-N
XLogP3.46
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one (CID 23644730) is 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one.
What is the SMILES notation for 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The canonical SMILES for 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one is O=c1ccc2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1.
What is the InChIKey of 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
The InChIKey is FWWVTQIQPUIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N2O/c14-12(15,16)6-21(7-13(17,18)19)9-2-3-10-8(5-9)1-4-11(22)20-10/h1-5H,6-7H2,(H,20,22).
What are the key properties of 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one?
6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one has a molecular weight of 324.22 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2,2,2-trifluoroethyl)amino]-1H-quinolin-2-one is sourced from PubChem (CID 23644730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).