N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide

C11H19FN2O — CID 59403316

IUPACN-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESO=C(NCCF)C1CC2CNCC(C2)C1
InChIInChI=1S/C11H19FN2O/c12-1-2-14-11(15)10-4-8-3-9(5-10)7-13-6-8/h8-10,13H,1-7H2,(H,14,15)
InChIKeyGEXVCAOTSBLWST-UHFFFAOYSA-N
MW214.28 g/mol
LogP0.71
Rot. Bonds3

About N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 59403316) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID59403316
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC NameN-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESO=C(NCCF)C1CC2CNCC(C2)C1
InChIInChI=1S/C11H19FN2O/c12-1-2-14-11(15)10-4-8-3-9(5-10)7-13-6-8/h8-10,13H,1-7H2,(H,14,15)
InChIKeyGEXVCAOTSBLWST-UHFFFAOYSA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 59403316) is N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide is O=C(NCCF)C1CC2CNCC(C2)C1.
What is the InChIKey of N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is GEXVCAOTSBLWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c12-1-2-14-11(15)10-4-8-3-9(5-10)7-13-6-8/h8-10,13H,1-7H2,(H,14,15).
What are the key properties of N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 214.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 59403316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).