6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline

C10H16FN — CID 123237214

IUPAC6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1CC(F)CC2CCCNC12
InChIInChI=1S/C10H16FN/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h8-10,12H,1-6H2
InChIKeyCMGNJLHKQMRVKH-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.04
Rot. Bonds

About 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline

6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (PubChem CID 123237214) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
PubChem CID123237214
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1CC(F)CC2CCCNC12
InChIInChI=1S/C10H16FN/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h8-10,12H,1-6H2
InChIKeyCMGNJLHKQMRVKH-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The IUPAC name of 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (CID 123237214) is 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.
What is the SMILES notation for 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The canonical SMILES for 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is C=C1CC(F)CC2CCCNC12.
What is the InChIKey of 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The InChIKey is CMGNJLHKQMRVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h8-10,12H,1-6H2.
What are the key properties of 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline has a molecular weight of 169.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is sourced from PubChem (CID 123237214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).