8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine

C7H12F2N2 — CID 167740883

IUPAC8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine
SMILESNC12CCC(CNC1)C2(F)F
InChIInChI=1S/C7H12F2N2/c8-7(9)5-1-2-6(7,10)4-11-3-5/h5,11H,1-4,10H2
InChIKeyYAJNUFYWNRPEAN-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.33
Rot. Bonds

About 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine

8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine (PubChem CID 167740883) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine.

Molecular Properties

Compound Name8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine
PubChem CID167740883
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine
SMILESNC12CCC(CNC1)C2(F)F
InChIInChI=1S/C7H12F2N2/c8-7(9)5-1-2-6(7,10)4-11-3-5/h5,11H,1-4,10H2
InChIKeyYAJNUFYWNRPEAN-UHFFFAOYSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine?
The IUPAC name of 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine (CID 167740883) is 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine.
What is the SMILES notation for 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine?
The canonical SMILES for 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine is NC12CCC(CNC1)C2(F)F.
What is the InChIKey of 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine?
The InChIKey is YAJNUFYWNRPEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)5-1-2-6(7,10)4-11-3-5/h5,11H,1-4,10H2.
What are the key properties of 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine?
8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine has a molecular weight of 162.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-azabicyclo[3.2.1]octan-1-amine is sourced from PubChem (CID 167740883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).