N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

C10H17F3N2 — CID 62738778

IUPACN-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-14-7-4-8-2-3-9(5-7)15(8)6-10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyWQKFPVUMCBUFEG-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.76
Rot. Bonds2

About N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738778) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738778
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-14-7-4-8-2-3-9(5-7)15(8)6-10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyWQKFPVUMCBUFEG-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62738778) is N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CC(F)(F)F.
What is the InChIKey of N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WQKFPVUMCBUFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-14-7-4-8-2-3-9(5-7)15(8)6-10(11,12)13/h7-9,14H,2-6H2,1H3.
What are the key properties of N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 222.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).