6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane

C7H12FN — CID 105427439

IUPAC6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane
SMILESFCC1CC2CNC1C2
InChIInChI=1S/C7H12FN/c8-3-6-1-5-2-7(6)9-4-5/h5-7,9H,1-4H2
InChIKeyYQDHEYOPFWXYNK-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.95
Rot. Bonds1

About 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane

6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 105427439) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane
PubChem CID105427439
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane
SMILESFCC1CC2CNC1C2
InChIInChI=1S/C7H12FN/c8-3-6-1-5-2-7(6)9-4-5/h5-7,9H,1-4H2
InChIKeyYQDHEYOPFWXYNK-UHFFFAOYSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane (CID 105427439) is 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane is FCC1CC2CNC1C2.
What is the InChIKey of 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is YQDHEYOPFWXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-3-6-1-5-2-7(6)9-4-5/h5-7,9H,1-4H2.
What are the key properties of 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane?
6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 129.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 105427439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).