(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane

C8H14FN — CID 135395892

IUPAC(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane
SMILESFC1C[C@H]2CCC[C@@H](C1)N2
InChIInChI=1S/C8H14FN/c9-6-4-7-2-1-3-8(5-6)10-7/h6-8,10H,1-5H2/t6?,7-,8+
InChIKeyZELMZWZXYGWLCK-IEESLHIDSA-N
MW143.21 g/mol
LogP1.63
Rot. Bonds

About (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane

(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane (PubChem CID 135395892) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane
PubChem CID135395892
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane
SMILESFC1C[C@H]2CCC[C@@H](C1)N2
InChIInChI=1S/C8H14FN/c9-6-4-7-2-1-3-8(5-6)10-7/h6-8,10H,1-5H2/t6?,7-,8+
InChIKeyZELMZWZXYGWLCK-IEESLHIDSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane (CID 135395892) is (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane is FC1C[C@H]2CCC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane?
The InChIKey is ZELMZWZXYGWLCK-IEESLHIDSA-N. The full InChI is InChI=1S/C8H14FN/c9-6-4-7-2-1-3-8(5-6)10-7/h6-8,10H,1-5H2/t6?,7-,8+.
What are the key properties of (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane?
(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane has a molecular weight of 143.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 135395892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).