6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane

C6H10FN — CID 50988622

IUPAC6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFCC1C2CNCC12
InChIInChI=1S/C6H10FN/c7-1-4-5-2-8-3-6(4)5/h4-6,8H,1-3H2
InChIKeyIMMWJRVCHSZLCT-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.42
Rot. Bonds1

About 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane

6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 50988622) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID50988622
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFCC1C2CNCC12
InChIInChI=1S/C6H10FN/c7-1-4-5-2-8-3-6(4)5/h4-6,8H,1-3H2
InChIKeyIMMWJRVCHSZLCT-UHFFFAOYSA-N
XLogP0.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 50988622) is 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane is FCC1C2CNCC12.
What is the InChIKey of 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is IMMWJRVCHSZLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c7-1-4-5-2-8-3-6(4)5/h4-6,8H,1-3H2.
What are the key properties of 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane?
6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 115.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 50988622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).