N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine

C10H17F3N2 — CID 83822792

IUPACN-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine
SMILESFC(F)(F)CNC1CCN2CCC1CC2
InChIInChI=1S/C10H17F3N2/c11-10(12,13)7-14-9-3-6-15-4-1-8(9)2-5-15/h8-9,14H,1-7H2
InChIKeyMMCCDOBTNGKGJY-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.62
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine

N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine (PubChem CID 83822792) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine
PubChem CID83822792
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine
SMILESFC(F)(F)CNC1CCN2CCC1CC2
InChIInChI=1S/C10H17F3N2/c11-10(12,13)7-14-9-3-6-15-4-1-8(9)2-5-15/h8-9,14H,1-7H2
InChIKeyMMCCDOBTNGKGJY-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129246962
(1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129269514
N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 135356672
(1S,5R)-3-ethyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 137444451
(1R,5S)-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 137444465
4-[4-(Trifluoromethyl)piperidin-2-yl]azepane
CID 137452143
3-(3,3,3-Trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 140929244
8,8-Difluoro-3-methyl-3,6-diazabicyclo[3.2.2]nonane
CID 156119848
5-(Azepan-4-yl)-2,2-difluoro-5-azaspiro[2.5]octane
CID 168099550
(4R,5R)-9,9-difluoro-4,5-dimethyl-2,3,4,5,7,8,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 177261680
2,2,2-trifluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]ethanamine
CID 43307304
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43307305

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine (CID 83822792) is N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine is FC(F)(F)CNC1CCN2CCC1CC2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine?
The InChIKey is MMCCDOBTNGKGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)7-14-9-3-6-15-4-1-8(9)2-5-15/h8-9,14H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine?
N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine has a molecular weight of 222.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.2]nonan-4-amine is sourced from PubChem (CID 83822792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).