6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline

C10H16FN — CID 167204492

IUPAC6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline
SMILESCC1=CCNC2CCC(F)CC12
InChIInChI=1S/C10H16FN/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h4,8-10,12H,2-3,5-6H2,1H3
InChIKeyJUGBGRSFMUWIPZ-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.04
Rot. Bonds

About 6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline

6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline (PubChem CID 167204492) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline.

Molecular Properties

Compound Name6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline
PubChem CID167204492
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline
SMILESCC1=CCNC2CCC(F)CC12
InChIInChI=1S/C10H16FN/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h4,8-10,12H,2-3,5-6H2,1H3
InChIKeyJUGBGRSFMUWIPZ-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-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline?
The IUPAC name of 6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline (CID 167204492) is 6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline.
What is the SMILES notation for 6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline?
The canonical SMILES for 6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline is CC1=CCNC2CCC(F)CC12.
What is the InChIKey of 6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline?
The InChIKey is JUGBGRSFMUWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h4,8-10,12H,2-3,5-6H2,1H3.
What are the key properties of 6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline?
6-fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline 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-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline is sourced from PubChem (CID 167204492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).