N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride

C9H15ClF3N3O — CID 154662981

IUPACN-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)N1C2CCC1CNC2
InChIInChI=1S/C9H14F3N3O.ClH/c10-9(11,12)5-14-8(16)15-6-1-2-7(15)4-13-3-6;/h6-7,13H,1-5H2,(H,14,16);1H
InChIKeyAAGUDGISTPPHPF-UHFFFAOYSA-N
MW273.69 g/mol
LogP1.12
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride

N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride (PubChem CID 154662981) has the molecular formula C9H15ClF3N3O and a molecular weight of 273.69 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
PubChem CID154662981
Molecular FormulaC9H15ClF3N3O
Molecular Weight273.69 g/mol
Exact Mass273.09
IUPAC NameN-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)N1C2CCC1CNC2
InChIInChI=1S/C9H14F3N3O.ClH/c10-9(11,12)5-14-8(16)15-6-1-2-7(15)4-13-3-6;/h6-7,13H,1-5H2,(H,14,16);1H
InChIKeyAAGUDGISTPPHPF-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride with MolForge

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Related Compounds

8-Trifluoroacetyl-3,8-diazabicyclo(3.2.1)octane
CID 14839578
8-Trifluoroacetyl-3,8-diazabicyclo[3.2.1]octan,hydrochloride
CID 14839579
1-(3,8-Diazabicyclo[3.2.1]octan-3-yl)-2,2,2-trifluoroethanone
CID 58117087
piperazin-1-yl-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629049
piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629541
1-Piperidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84804040
1-(4,4-Difluorocyclohexyl)imidazolidin-2-one
CID 90426751
3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 129269391
3,8-Diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129270141
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 137444381
(2S,5R)-2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362106
2-Fluoro-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362107

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride (CID 154662981) is N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride is Cl.O=C(NCC(F)(F)F)N1C2CCC1CNC2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride?
The InChIKey is AAGUDGISTPPHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O.ClH/c10-9(11,12)5-14-8(16)15-6-1-2-7(15)4-13-3-6;/h6-7,13H,1-5H2,(H,14,16);1H.
What are the key properties of N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride?
N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride has a molecular weight of 273.69 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride is sourced from PubChem (CID 154662981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).