9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

C13H12FNO — CID 11820651

IUPAC9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2=C(CCc3ccc(F)cc32)N1
InChIInChI=1S/C13H12FNO/c14-9-3-1-8-2-5-12-10(11(8)7-9)4-6-13(16)15-12/h1,3,7H,2,4-6H2,(H,15,16)
InChIKeyQLMDBKUXHJJGIC-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.39
Rot. Bonds

About 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 11820651) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID11820651
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2=C(CCc3ccc(F)cc32)N1
InChIInChI=1S/C13H12FNO/c14-9-3-1-8-2-5-12-10(11(8)7-9)4-6-13(16)15-12/h1,3,7H,2,4-6H2,(H,15,16)
InChIKeyQLMDBKUXHJJGIC-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 11820651) is 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is O=C1CCC2=C(CCc3ccc(F)cc32)N1.
What is the InChIKey of 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is QLMDBKUXHJJGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-9-3-1-8-2-5-12-10(11(8)7-9)4-6-13(16)15-12/h1,3,7H,2,4-6H2,(H,15,16).
What are the key properties of 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 217.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 11820651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).