N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C11H20F2N2 — CID 61230776

IUPACN-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CC(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C11H20F2N2/c1-2-15(7-11(12)13)10-5-8-3-4-9(6-10)14-8/h8-11,14H,2-7H2,1H3
InChIKeyCGSKQIHQTIHNEU-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.86
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230776) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230776
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC NameN-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CC(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C11H20F2N2/c1-2-15(7-11(12)13)10-5-8-3-4-9(6-10)14-8/h8-11,14H,2-7H2,1H3
InChIKeyCGSKQIHQTIHNEU-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61230776) is N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(CC(F)F)C1CC2CCC(C1)N2.
What is the InChIKey of N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CGSKQIHQTIHNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-2-15(7-11(12)13)10-5-8-3-4-9(6-10)14-8/h8-11,14H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 218.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).