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

C10H18F2N2 — CID 61232226

IUPACN-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CC(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C10H18F2N2/c1-14(6-10(11)12)9-4-7-2-3-8(5-9)13-7/h7-10,13H,2-6H2,1H3
InChIKeyQTQJETCZYCTUAL-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.47
Rot. Bonds3

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

N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232226) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232226
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CC(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C10H18F2N2/c1-14(6-10(11)12)9-4-7-2-3-8(5-9)13-7/h7-10,13H,2-6H2,1H3
InChIKeyQTQJETCZYCTUAL-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.47
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-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61232226) is N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(CC(F)F)C1CC2CCC(C1)N2.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QTQJETCZYCTUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-14(6-10(11)12)9-4-7-2-3-8(5-9)13-7/h7-10,13H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 204.26 g/mol, XLogP of 1.47, 3 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-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).