7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane

C7H12FN — CID 105427451

IUPAC7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane
SMILESFCC1C2CCCNC12
InChIInChI=1S/C7H12FN/c8-4-6-5-2-1-3-9-7(5)6/h5-7,9H,1-4H2
InChIKeyKNWXZYXLUDYYIO-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.95
Rot. Bonds1

About 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane

7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane (PubChem CID 105427451) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane
PubChem CID105427451
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane
SMILESFCC1C2CCCNC12
InChIInChI=1S/C7H12FN/c8-4-6-5-2-1-3-9-7(5)6/h5-7,9H,1-4H2
InChIKeyKNWXZYXLUDYYIO-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 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane?
The IUPAC name of 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane (CID 105427451) is 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane is FCC1C2CCCNC12.
What is the InChIKey of 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane?
The InChIKey is KNWXZYXLUDYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-4-6-5-2-1-3-9-7(5)6/h5-7,9H,1-4H2.
What are the key properties of 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane?
7-(fluoromethyl)-2-azabicyclo[4.1.0]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 7-(fluoromethyl)-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 105427451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).