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

C9H16FN — CID 118234102

IUPAC(1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane
SMILESCC[C@H]1C[C@@H]2CC[C@@H](N2)C1F
InChIInChI=1S/C9H16FN/c1-2-6-5-7-3-4-8(11-7)9(6)10/h6-9,11H,2-5H2,1H3/t6-,7-,8+,9?/m0/s1
InChIKeyMUGYYBHSYKDWQU-VTBDLZGYSA-N
MW157.23 g/mol
LogP1.88
Rot. Bonds1

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

(1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 118234102) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID118234102
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane
SMILESCC[C@H]1C[C@@H]2CC[C@@H](N2)C1F
InChIInChI=1S/C9H16FN/c1-2-6-5-7-3-4-8(11-7)9(6)10/h6-9,11H,2-5H2,1H3/t6-,7-,8+,9?/m0/s1
InChIKeyMUGYYBHSYKDWQU-VTBDLZGYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane (CID 118234102) is (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane is CC[C@H]1C[C@@H]2CC[C@@H](N2)C1F.
What is the InChIKey of (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is MUGYYBHSYKDWQU-VTBDLZGYSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-6-5-7-3-4-8(11-7)9(6)10/h6-9,11H,2-5H2,1H3/t6-,7-,8+,9?/m0/s1.
What are the key properties of (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane?
(1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 157.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-3-ethyl-2-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 118234102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).