[3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium

C12H23FN+ — CID 147749316

IUPAC[3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium
SMILESCC1(CCF)CC2CCCC([NH3+])(C2)C1
InChIInChI=1S/C12H22FN/c1-11(5-6-13)7-10-3-2-4-12(14,8-10)9-11/h10H,2-9,14H2,1H3/p+1
InChIKeyHBWWHFUXUFAMIJ-UHFFFAOYSA-O
MW200.32 g/mol
LogP2.32
Rot. Bonds2

About [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium

[3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium (PubChem CID 147749316) has the molecular formula C12H23FN+ and a molecular weight of 200.32 g/mol. Its IUPAC name is [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium.

Molecular Properties

Compound Name[3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium
PubChem CID147749316
Molecular FormulaC12H23FN+
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name[3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium
SMILESCC1(CCF)CC2CCCC([NH3+])(C2)C1
InChIInChI=1S/C12H22FN/c1-11(5-6-13)7-10-3-2-4-12(14,8-10)9-11/h10H,2-9,14H2,1H3/p+1
InChIKeyHBWWHFUXUFAMIJ-UHFFFAOYSA-O
XLogP2.32
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium with MolForge

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Related Compounds

3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
CID 148598782
1-(2-fluoroethyl)-1,2-dimethylcyclopropane
CID 123694761
1-methyl-3-propylbicyclo[3.3.1]nonan-3-amine
CID 130315860
1-propylbicyclo[3.3.1]nonane
CID 23320022
[3-(hydroxymethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] 2-iodo-2-methylbutanoate
CID 163432299
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol
CID 129294863
1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane
CID 123877487
2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol
CID 138550493
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid
CID 130311004
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium?
The IUPAC name of [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium (CID 147749316) is [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium.
What is the SMILES notation for [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium?
The canonical SMILES for [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium is CC1(CCF)CC2CCCC([NH3+])(C2)C1.
What is the InChIKey of [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium?
The InChIKey is HBWWHFUXUFAMIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22FN/c1-11(5-6-13)7-10-3-2-4-12(14,8-10)9-11/h10H,2-9,14H2,1H3/p+1.
What are the key properties of [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium?
[3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium has a molecular weight of 200.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium is sourced from PubChem (CID 147749316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).