(1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol

C10H19FNO+ — CID 21115094

IUPAC(1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC[N+]1(CCF)[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C10H19FNO/c1-12(5-4-11)8-2-3-9(12)7-10(13)6-8/h8-10,13H,2-7H2,1H3/q+1/t8-,9+,10?,12?
InChIKeySIRGIIUVLIDHAM-GJYTXDDASA-N
MW188.27 g/mol
LogP1.09
Rot. Bonds2

About (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol (PubChem CID 21115094) has the molecular formula C10H19FNO+ and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID21115094
Molecular FormulaC10H19FNO+
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESC[N+]1(CCF)[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C10H19FNO/c1-12(5-4-11)8-2-3-9(12)7-10(13)6-8/h8-10,13H,2-7H2,1H3/q+1/t8-,9+,10?,12?
InChIKeySIRGIIUVLIDHAM-GJYTXDDASA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol (CID 21115094) is (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol is C[N+]1(CCF)[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
The InChIKey is SIRGIIUVLIDHAM-GJYTXDDASA-N. The full InChI is InChI=1S/C10H19FNO/c1-12(5-4-11)8-2-3-9(12)7-10(13)6-8/h8-10,13H,2-7H2,1H3/q+1/t8-,9+,10?,12?.
What are the key properties of (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol has a molecular weight of 188.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 21115094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).