6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

C9H16F2N2 — CID 167503267

IUPAC6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CC(F)(F)C(C1)N2C
InChIInChI=1S/C9H16F2N2/c1-12-6-3-7-5-9(10,11)8(4-6)13(7)2/h6-8,12H,3-5H2,1-2H3
InChIKeyNVJMAQXHNJUCLP-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.08
Rot. Bonds1

About 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 167503267) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID167503267
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CC(F)(F)C(C1)N2C
InChIInChI=1S/C9H16F2N2/c1-12-6-3-7-5-9(10,11)8(4-6)13(7)2/h6-8,12H,3-5H2,1-2H3
InChIKeyNVJMAQXHNJUCLP-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 167503267) is 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CC(F)(F)C(C1)N2C.
What is the InChIKey of 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is NVJMAQXHNJUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-12-6-3-7-5-9(10,11)8(4-6)13(7)2/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 190.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 167503267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).