8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one

C14H11F6NO2 — CID 168938327

IUPAC8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cccc(O)c2n1CCCC(F)(F)F
InChIInChI=1S/C14H11F6NO2/c15-13(16,17)5-2-6-21-11(23)7-9(14(18,19)20)8-3-1-4-10(22)12(8)21/h1,3-4,7,22H,2,5-6H2
InChIKeyVCXKVCNPASTJMJ-UHFFFAOYSA-N
MW339.24 g/mol
LogP4.07
Rot. Bonds3

About 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one

8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one (PubChem CID 168938327) has the molecular formula C14H11F6NO2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one
PubChem CID168938327
Molecular FormulaC14H11F6NO2
Molecular Weight339.24 g/mol
Exact Mass339.07
IUPAC Name8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cccc(O)c2n1CCCC(F)(F)F
InChIInChI=1S/C14H11F6NO2/c15-13(16,17)5-2-6-21-11(23)7-9(14(18,19)20)8-3-1-4-10(22)12(8)21/h1,3-4,7,22H,2,5-6H2
InChIKeyVCXKVCNPASTJMJ-UHFFFAOYSA-N
XLogP4.07
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one (CID 168938327) is 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one is O=c1cc(C(F)(F)F)c2cccc(O)c2n1CCCC(F)(F)F.
What is the InChIKey of 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is VCXKVCNPASTJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6NO2/c15-13(16,17)5-2-6-21-11(23)7-9(14(18,19)20)8-3-1-4-10(22)12(8)21/h1,3-4,7,22H,2,5-6H2.
What are the key properties of 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one?
8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 339.24 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 168938327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).