1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C11H14F6N2O — CID 103310337

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESNC1CC2CCC(C1)N2C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-6-1-2-7(19)4-5(18)3-6/h5-8H,1-4,18H2
InChIKeyDEWSSDBBRCJZRU-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.21
Rot. Bonds1

About 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103310337) has the molecular formula C11H14F6N2O and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103310337
Molecular FormulaC11H14F6N2O
Molecular Weight304.23 g/mol
Exact Mass304.10
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESNC1CC2CCC(C1)N2C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-6-1-2-7(19)4-5(18)3-6/h5-8H,1-4,18H2
InChIKeyDEWSSDBBRCJZRU-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one with MolForge

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Related Compounds

1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2,2-difluoroethanone
CID 130905866
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,2,2-trifluoroethanone
CID 63105003
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-cyclopropylpropan-1-one
CID 83149167
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308950
(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146425848
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
CID 61234954
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308956
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 61233677
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
CID 130002803
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,5,5-trimethylhexan-1-one
CID 61233873
1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310372
3-amino-N-cyclohexyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 61235917

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103310337) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is NC1CC2CCC(C1)N2C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is DEWSSDBBRCJZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-6-1-2-7(19)4-5(18)3-6/h5-8H,1-4,18H2.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 304.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103310337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).