8-fluoro-6,7-dihydro-1H-quinolin-4-one

C9H8FNO — CID 167151910

IUPAC8-fluoro-6,7-dihydro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c1=CCCC=2F
InChIInChI=1S/C9H8FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h2,4-5,11H,1,3H2
InChIKeyXNLUXVLHUVGPQT-UHFFFAOYSA-N
MW165.17 g/mol
LogP0.03
Rot. Bonds

About 8-fluoro-6,7-dihydro-1H-quinolin-4-one

8-fluoro-6,7-dihydro-1H-quinolin-4-one (PubChem CID 167151910) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 8-fluoro-6,7-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-6,7-dihydro-1H-quinolin-4-one
PubChem CID167151910
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name8-fluoro-6,7-dihydro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c1=CCCC=2F
InChIInChI=1S/C9H8FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h2,4-5,11H,1,3H2
InChIKeyXNLUXVLHUVGPQT-UHFFFAOYSA-N
XLogP0.03
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6,7-dihydro-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-6,7-dihydro-1H-quinolin-4-one (CID 167151910) is 8-fluoro-6,7-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-6,7-dihydro-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-6,7-dihydro-1H-quinolin-4-one is O=c1cc[nH]c2c1=CCCC=2F.
What is the InChIKey of 8-fluoro-6,7-dihydro-1H-quinolin-4-one?
The InChIKey is XNLUXVLHUVGPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h2,4-5,11H,1,3H2.
What are the key properties of 8-fluoro-6,7-dihydro-1H-quinolin-4-one?
8-fluoro-6,7-dihydro-1H-quinolin-4-one has a molecular weight of 165.17 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6,7-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 167151910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).