(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride

C9H14ClF2NO2 — CID 73357666

IUPAC(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CC[C@H](CN1)C(F)(F)CC2
InChIInChI=1S/C9H13F2NO2.ClH/c10-9(11)4-3-8(7(13)14)2-1-6(9)5-12-8;/h6,12H,1-5H2,(H,13,14);1H/t6-,8?;/m1./s1
InChIKeyMMFVSBMNCHCHAO-GAQJHFJWSA-N
MW241.66 g/mol
LogP1.66
Rot. Bonds1

About (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride

(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride (PubChem CID 73357666) has the molecular formula C9H14ClF2NO2 and a molecular weight of 241.66 g/mol. Its IUPAC name is (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride
PubChem CID73357666
Molecular FormulaC9H14ClF2NO2
Molecular Weight241.66 g/mol
Exact Mass241.07
IUPAC Name(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CC[C@H](CN1)C(F)(F)CC2
InChIInChI=1S/C9H13F2NO2.ClH/c10-9(11)4-3-8(7(13)14)2-1-6(9)5-12-8;/h6,12H,1-5H2,(H,13,14);1H/t6-,8?;/m1./s1
InChIKeyMMFVSBMNCHCHAO-GAQJHFJWSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 138645603
(1S,4R)-5-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 102086861
(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid
CID 129413549
7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
CID 121207590
(1S,3S,4R)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
CID 155905217
3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
CID 155895019
3-(oxolan-3-yl)oxolane-3-carboxylic acid
CID 79426025
(1R,3R,4S)-3-hydroxy-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 102063959
2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
CID 131098092
3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
CID 115031189
3,3-difluoro-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115031854
(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 118108637

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride?
The IUPAC name of (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride (CID 73357666) is (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride?
The canonical SMILES for (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride is Cl.O=C(O)C12CC[C@H](CN1)C(F)(F)CC2.
What is the InChIKey of (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride?
The InChIKey is MMFVSBMNCHCHAO-GAQJHFJWSA-N. The full InChI is InChI=1S/C9H13F2NO2.ClH/c10-9(11)4-3-8(7(13)14)2-1-6(9)5-12-8;/h6,12H,1-5H2,(H,13,14);1H/t6-,8?;/m1./s1.
What are the key properties of (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride?
(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride has a molecular weight of 241.66 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 73357666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).