6-fluoro-7,8-dihydro-6H-quinolin-5-one

C9H8FNO — CID 166885117

IUPAC6-fluoro-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1c2cccnc2CCC1F
InChIInChI=1S/C9H8FNO/c10-7-3-4-8-6(9(7)12)2-1-5-11-8/h1-2,5,7H,3-4H2
InChIKeyGTWPTFOKCJHZLZ-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.55
Rot. Bonds

About 6-fluoro-7,8-dihydro-6H-quinolin-5-one

6-fluoro-7,8-dihydro-6H-quinolin-5-one (PubChem CID 166885117) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 6-fluoro-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name6-fluoro-7,8-dihydro-6H-quinolin-5-one
PubChem CID166885117
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name6-fluoro-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1c2cccnc2CCC1F
InChIInChI=1S/C9H8FNO/c10-7-3-4-8-6(9(7)12)2-1-5-11-8/h1-2,5,7H,3-4H2
InChIKeyGTWPTFOKCJHZLZ-UHFFFAOYSA-N
XLogP1.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 6-fluoro-7,8-dihydro-6H-quinolin-5-one (CID 166885117) is 6-fluoro-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 6-fluoro-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 6-fluoro-7,8-dihydro-6H-quinolin-5-one is O=C1c2cccnc2CCC1F.
What is the InChIKey of 6-fluoro-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is GTWPTFOKCJHZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-7-3-4-8-6(9(7)12)2-1-5-11-8/h1-2,5,7H,3-4H2.
What are the key properties of 6-fluoro-7,8-dihydro-6H-quinolin-5-one?
6-fluoro-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 165.17 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 166885117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).