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

C10H18FN — CID 121337294

IUPAC(1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2CCF
InChIInChI=1S/C10H18FN/c1-8-6-9-2-3-10(7-8)12(9)5-4-11/h8-10H,2-7H2,1H3/t8?,9-,10+
InChIKeyMYLKXWYBXQANJM-PBINXNQUSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds2

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

(1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 121337294) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID121337294
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2CCF
InChIInChI=1S/C10H18FN/c1-8-6-9-2-3-10(7-8)12(9)5-4-11/h8-10H,2-7H2,1H3/t8?,9-,10+
InChIKeyMYLKXWYBXQANJM-PBINXNQUSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
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,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11228914
(5R,8R)-8-Methyl-5-pentyloctahydroindolizine
CID 14265442
8-Methyl-5-ethylindolizidine
CID 75989788
(1S,8aS)-1-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101688715
7-(4-Methylpentyl)indolizidine
CID 171396596
Methylindolizidine
CID 11137239

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane (CID 121337294) is (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane is CC1C[C@H]2CC[C@@H](C1)N2CCF.
What is the InChIKey of (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is MYLKXWYBXQANJM-PBINXNQUSA-N. The full InChI is InChI=1S/C10H18FN/c1-8-6-9-2-3-10(7-8)12(9)5-4-11/h8-10H,2-7H2,1H3/t8?,9-,10+.
What are the key properties of (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 171.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121337294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).