7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid

C11H18FNO2 — CID 115029171

IUPAC7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESCN1CC2CC(C)(F)CC(C1)C2C(=O)O
InChIInChI=1S/C11H18FNO2/c1-11(12)3-7-5-13(2)6-8(4-11)9(7)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyBLEXKSFVEQBJAO-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.39
Rot. Bonds1

About 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid

7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid (PubChem CID 115029171) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
PubChem CID115029171
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESCN1CC2CC(C)(F)CC(C1)C2C(=O)O
InChIInChI=1S/C11H18FNO2/c1-11(12)3-7-5-13(2)6-8(4-11)9(7)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyBLEXKSFVEQBJAO-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
CID 115022063
1-(3-fluoro-3-methyl-6-bicyclo[3.1.0]hexanyl)ethanone
CID 178011626
tert-butyl 7-fluoro-9-hydroxy-7-methyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 115050803
2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130916638
9-(hydroxymethyl)-3-methyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 115028344
3-methylsulfonyl-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 137394146
(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
1,5,5-trimethylbicyclo[2.1.1]hexane-2,3-dicarboxylic acid
CID 67089744
1,2,2-trimethylazetidine-3-carboxylic acid
CID 155290917
2-(2,2-dimethylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 131015199
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The IUPAC name of 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid (CID 115029171) is 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid.
What is the SMILES notation for 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The canonical SMILES for 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid is CN1CC2CC(C)(F)CC(C1)C2C(=O)O.
What is the InChIKey of 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The InChIKey is BLEXKSFVEQBJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-11(12)3-7-5-13(2)6-8(4-11)9(7)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid?
7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid is sourced from PubChem (CID 115029171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).