2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile

C11H15F3N2 — CID 57013979

IUPAC2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCC1C(C#N)CC2CCC1N2CC(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-7-8(5-15)4-9-2-3-10(7)16(9)6-11(12,13)14/h7-10H,2-4,6H2,1H3
InChIKeyMBLMYCFHYSRARU-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.56
Rot. Bonds1

About 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile

2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile (PubChem CID 57013979) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
PubChem CID57013979
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCC1C(C#N)CC2CCC1N2CC(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-7-8(5-15)4-9-2-3-10(7)16(9)6-11(12,13)14/h7-10H,2-4,6H2,1H3
InChIKeyMBLMYCFHYSRARU-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 557623
Cyanotropane
CID 69529177
(1R,5S)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 11127723
3-Cyano-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
CID 15430828
3-Cyano-8-(2,2-difluoroethyl)-8-azabicyclo-[3.2.1]octane
CID 53952369
(1S,5R)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337300
8-Propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
CID 122451375
8-Methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
CID 122462557
8-(2,2-Difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 123490402
8-(2,2,3,3,4,4,4-Heptafluorobutyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 142154147
6-Fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 142643355
6,6-Difluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 142643356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The IUPAC name of 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile (CID 57013979) is 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile.
What is the SMILES notation for 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The canonical SMILES for 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile is CC1C(C#N)CC2CCC1N2CC(F)(F)F.
What is the InChIKey of 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The InChIKey is MBLMYCFHYSRARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-7-8(5-15)4-9-2-3-10(7)16(9)6-11(12,13)14/h7-10H,2-4,6H2,1H3.
What are the key properties of 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile?
2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile has a molecular weight of 232.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile is sourced from PubChem (CID 57013979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).