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

C6H10FN — CID 84731056

IUPAC2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFCC1NCC2CC21
InChIInChI=1S/C6H10FN/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1-3H2
InChIKeyMTTGPUICWKIUPI-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.56
Rot. Bonds1

About 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane

2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 84731056) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID84731056
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFCC1NCC2CC21
InChIInChI=1S/C6H10FN/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1-3H2
InChIKeyMTTGPUICWKIUPI-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 84731056) is 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane is FCC1NCC2CC21.
What is the InChIKey of 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is MTTGPUICWKIUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1-3H2.
What are the key properties of 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane?
2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 115.15 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 84731056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).