8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one

C13H12FNO — CID 54462271

IUPAC8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one
SMILESO=C1CN=C2c3ccc(F)cc3CCC2C1
InChIInChI=1S/C13H12FNO/c14-10-3-4-12-8(5-10)1-2-9-6-11(16)7-15-13(9)12/h3-5,9H,1-2,6-7H2
InChIKeyXCKVGMJKXPQYFR-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.15
Rot. Bonds

About 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one

8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one (PubChem CID 54462271) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one
PubChem CID54462271
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one
SMILESO=C1CN=C2c3ccc(F)cc3CCC2C1
InChIInChI=1S/C13H12FNO/c14-10-3-4-12-8(5-10)1-2-9-6-11(16)7-15-13(9)12/h3-5,9H,1-2,6-7H2
InChIKeyXCKVGMJKXPQYFR-UHFFFAOYSA-N
XLogP2.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one?
The IUPAC name of 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one (CID 54462271) is 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one.
What is the SMILES notation for 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one?
The canonical SMILES for 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one is O=C1CN=C2c3ccc(F)cc3CCC2C1.
What is the InChIKey of 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one?
The InChIKey is XCKVGMJKXPQYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-10-3-4-12-8(5-10)1-2-9-6-11(16)7-15-13(9)12/h3-5,9H,1-2,6-7H2.
What are the key properties of 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one?
8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one has a molecular weight of 217.24 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4,4a,5,6-tetrahydro-2H-benzo[h]quinolin-3-one is sourced from PubChem (CID 54462271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).