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

C9H14F3N3O — CID 154662982

IUPACN-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCC(F)(F)F)N1C2CCC1CNC2
InChIInChI=1S/C9H14F3N3O/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)
InChIKeyOKFNMXLDYUJFEF-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.69
Rot. Bonds1

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

N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 154662982) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
PubChem CID154662982
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCC(F)(F)F)N1C2CCC1CNC2
InChIInChI=1S/C9H14F3N3O/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)
InChIKeyOKFNMXLDYUJFEF-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Piperidin-3-yl)imidazolidin-2-one
CID 45791720
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
1-[(1R,2R)-2-fluorocyclohexyl]imidazolidin-2-one
CID 134169328
1-[(1S,2R)-2-fluorocyclohexyl]imidazolidin-2-one
CID 134169330

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (CID 154662982) is N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is 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?
The InChIKey is OKFNMXLDYUJFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/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).
What are the key properties of N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 237.22 g/mol, XLogP of 0.69, 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 is sourced from PubChem (CID 154662982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).