(1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane

C10H18FN — CID 170300769

IUPAC(1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1C[C@]2(C)CCC[C@@H](N2)[C@H]1F
InChIInChI=1S/C10H18FN/c1-7-6-10(2)5-3-4-8(12-10)9(7)11/h7-9,12H,3-6H2,1-2H3/t7?,8-,9+,10+/m1/s1
InChIKeyJPRLZVVTKFFLAL-ZWBYMXEOSA-N
MW171.26 g/mol
LogP2.27
Rot. Bonds

About (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane

(1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane (PubChem CID 170300769) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
PubChem CID170300769
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1C[C@]2(C)CCC[C@@H](N2)[C@H]1F
InChIInChI=1S/C10H18FN/c1-7-6-10(2)5-3-4-8(12-10)9(7)11/h7-9,12H,3-6H2,1-2H3/t7?,8-,9+,10+/m1/s1
InChIKeyJPRLZVVTKFFLAL-ZWBYMXEOSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane (CID 170300769) is (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane is CC1C[C@]2(C)CCC[C@@H](N2)[C@H]1F.
What is the InChIKey of (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is JPRLZVVTKFFLAL-ZWBYMXEOSA-N. The full InChI is InChI=1S/C10H18FN/c1-7-6-10(2)5-3-4-8(12-10)9(7)11/h7-9,12H,3-6H2,1-2H3/t7?,8-,9+,10+/m1/s1.
What are the key properties of (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane?
(1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 171.26 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 170300769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).