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

C9H13F2NO2 — CID 115023837

IUPAC7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESO=C(O)C1C2CNCC1CC(F)(F)C2
InChIInChI=1S/C9H13F2NO2/c10-9(11)1-5-3-12-4-6(2-9)7(5)8(13)14/h5-7,12H,1-4H2,(H,13,14)
InChIKeyFCVLDXLVCBHOHU-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.95
Rot. Bonds1

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

7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid (PubChem CID 115023837) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid.

Molecular Properties

Compound Name7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
PubChem CID115023837
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESO=C(O)C1C2CNCC1CC(F)(F)C2
InChIInChI=1S/C9H13F2NO2/c10-9(11)1-5-3-12-4-6(2-9)7(5)8(13)14/h5-7,12H,1-4H2,(H,13,14)
InChIKeyFCVLDXLVCBHOHU-UHFFFAOYSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-{3-Azabicyclo[3.3.1]nonan-9-yl}acetic acid hydrochloride
CID 70004038
3-Azabicyclo[3.3.1]nonane-9-carboxylic acid hydrochloride
CID 47003583
2-{3-Azabicyclo[3.3.1]nonan-9-yl}acetic acid
CID 18670438
3-Azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 47003584
2-[(2,2,2-Trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid
CID 65896174
4-Cyclohexyl-piperidine-4-carboxylic acid trifluoroacetate
CID 66987609
2-[(4,4-Difluorocyclohexyl)methyl]piperidine-4-carboxylic acid
CID 123561042
2-[(4,4-Difluorocyclohexyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555376
2-[(2,2,2-Trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid;dihydrochloride
CID 142750460
trans-(1S,2R)-2-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid
CID 155106655
2-(5,5,5-Trifluoropentyl)piperidine-4-carboxylic acid
CID 173057856
3,3,3-Trifluoro-2-(piperidin-2-ylmethyl)propanoic acid
CID 4323662

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The IUPAC name of 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid (CID 115023837) is 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid.
What is the SMILES notation for 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The canonical SMILES for 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid is O=C(O)C1C2CNCC1CC(F)(F)C2.
What is the InChIKey of 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The InChIKey is FCVLDXLVCBHOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-9(11)1-5-3-12-4-6(2-9)7(5)8(13)14/h5-7,12H,1-4H2,(H,13,14).
What are the key properties of 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid?
7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid has a molecular weight of 205.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid is sourced from PubChem (CID 115023837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).