3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C12H18F3N3O — CID 129270141

IUPAC3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(C(F)(F)F)C1)N1C2CCC1CNC2
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)8-3-4-17(7-8)11(19)18-9-1-2-10(18)6-16-5-9/h8-10,16H,1-7H2
InChIKeySRUGUIYCDOIFBV-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.43
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 129270141) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID129270141
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(C(F)(F)F)C1)N1C2CCC1CNC2
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)8-3-4-17(7-8)11(19)18-9-1-2-10(18)6-16-5-9/h8-10,16H,1-7H2
InChIKeySRUGUIYCDOIFBV-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-Difluoropyrrolidin-1-yl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 123454659
3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 129269391
(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129269838
[3-(Methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129269839
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 137444381
(3-Tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 137444438
(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 145770813
2-(1,1-Difluoroethyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362146
1-(2,2,2-Trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 149999127
N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
CID 154662981
N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 154662982
N-methyl-3-(trifluoromethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 54760844

Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 129270141) is 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(N1CCC(C(F)(F)F)C1)N1C2CCC1CNC2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SRUGUIYCDOIFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c13-12(14,15)8-3-4-17(7-8)11(19)18-9-1-2-10(18)6-16-5-9/h8-10,16H,1-7H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 277.29 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-8-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129270141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).