5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine

C8H14F2N2 — CID 105436436

IUPAC5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine
SMILESNC12CCN(CCCC1(F)F)C2
InChIInChI=1S/C8H14F2N2/c9-8(10)2-1-4-12-5-3-7(8,11)6-12/h1-6,11H2
InChIKeyONORTBKBGAWDBH-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.82
Rot. Bonds

About 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine

5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine (PubChem CID 105436436) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine.

Molecular Properties

Compound Name5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine
PubChem CID105436436
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine
SMILESNC12CCN(CCCC1(F)F)C2
InChIInChI=1S/C8H14F2N2/c9-8(10)2-1-4-12-5-3-7(8,11)6-12/h1-6,11H2
InChIKeyONORTBKBGAWDBH-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine?
The IUPAC name of 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine (CID 105436436) is 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine.
What is the SMILES notation for 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine?
The canonical SMILES for 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine is NC12CCN(CCCC1(F)F)C2.
What is the InChIKey of 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine?
The InChIKey is ONORTBKBGAWDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c9-8(10)2-1-4-12-5-3-7(8,11)6-12/h1-6,11H2.
What are the key properties of 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine?
5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine has a molecular weight of 176.21 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine is sourced from PubChem (CID 105436436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).