7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one

C11H9F4NO2 — CID 55134559

IUPAC7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)C(F)(F)F)c(F)cc2N1
InChIInChI=1S/C11H9F4NO2/c12-7-4-8-5(1-2-9(17)16-8)3-6(7)10(18)11(13,14)15/h3-4,10,18H,1-2H2,(H,16,17)
InChIKeyHEAVFCYYXLWWKO-UHFFFAOYSA-N
MW263.19 g/mol
LogP2.31
Rot. Bonds1

About 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 55134559) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID55134559
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)C(F)(F)F)c(F)cc2N1
InChIInChI=1S/C11H9F4NO2/c12-7-4-8-5(1-2-9(17)16-8)3-6(7)10(18)11(13,14)15/h3-4,10,18H,1-2H2,(H,16,17)
InChIKeyHEAVFCYYXLWWKO-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one (CID 55134559) is 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)C(F)(F)F)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HEAVFCYYXLWWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO2/c12-7-4-8-5(1-2-9(17)16-8)3-6(7)10(18)11(13,14)15/h3-4,10,18H,1-2H2,(H,16,17).
What are the key properties of 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 263.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 55134559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).