(1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

C11H20FN — CID 135130422

IUPAC(1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)[C@H]1C[C@@H]2CC[C@H](C1F)N2C
InChIInChI=1S/C11H20FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-11H,4-6H2,1-3H3/t8-,9+,10+,11?/m0/s1
InChIKeyONEVGZOXQPGCRT-JSBCTHHUSA-N
MW185.29 g/mol
LogP2.46
Rot. Bonds1

About (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

(1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 135130422) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID135130422
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)[C@H]1C[C@@H]2CC[C@H](C1F)N2C
InChIInChI=1S/C11H20FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-11H,4-6H2,1-3H3/t8-,9+,10+,11?/m0/s1
InChIKeyONEVGZOXQPGCRT-JSBCTHHUSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

1-Methyldecahydro-1 h-cyclohepta[b]pyridine
CID 18711517
Methyl tropane
CID 69546563
2-(Fluoromethyl)-1,5-di(propan-2-yl)piperidine
CID 58778779
(3R)-3-fluoro-1-(4-propan-2-ylcyclohexyl)pyrrolidine
CID 68067725
(3S)-3-fluoro-1-(4-propan-2-ylcyclohexyl)pyrrolidine
CID 68067733
(1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane
CID 118234102
2-Fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 118234178
4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine
CID 118303186
(3S)-3-tert-butyl-6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane
CID 121337291
(1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337294
(1S,5R)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337300
3-(4-Fluorocyclohexyl)-1-methylpyrrolidine
CID 121477058

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 135130422) is (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)[C@H]1C[C@@H]2CC[C@H](C1F)N2C.
What is the InChIKey of (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is ONEVGZOXQPGCRT-JSBCTHHUSA-N. The full InChI is InChI=1S/C11H20FN/c1-7(2)9-6-8-4-5-10(11(9)12)13(8)3/h7-11H,4-6H2,1-3H3/t8-,9+,10+,11?/m0/s1.
What are the key properties of (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
(1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 185.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 135130422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).