6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane

C9H16FN — CID 123441317

IUPAC6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CC(F)C(C1)N2C
InChIInChI=1S/C9H16FN/c1-6-3-7-5-8(10)9(4-6)11(7)2/h6-9H,3-5H2,1-2H3
InChIKeyJUWDYTNDOQUSPN-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds

About 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane

6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 123441317) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
PubChem CID123441317
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CC(F)C(C1)N2C
InChIInChI=1S/C9H16FN/c1-6-3-7-5-8(10)9(4-6)11(7)2/h6-9H,3-5H2,1-2H3
InChIKeyJUWDYTNDOQUSPN-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-3-(1-methyl-pyrrolidin-2-yl)-piperidine
CID 44335229
1-[(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 51723276
6,8-Diethyl-5-propylindolizidine
CID 72760744
(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 15545699
(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 163106292
3-(2-Fluoroethyl)-8-azabicyclo[3.2.1]octane
CID 132343955
(5R,8R)-8-Methyl-5-pentyloctahydroindolizine
CID 14265442
(1S,8aS)-1-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101688715
7-(4-Methylpentyl)indolizidine
CID 171396596
Methylindolizidine
CID 11137239
1-Methyldecahydro-1 h-cyclohepta[b]pyridine
CID 18711517
2,7-Dimethyloctahydroindolizine
CID 20276330

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane (CID 123441317) is 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane is CC1CC2CC(F)C(C1)N2C.
What is the InChIKey of 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is JUWDYTNDOQUSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-6-3-7-5-8(10)9(4-6)11(7)2/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 157.23 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 123441317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).