1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane

C6H10FN — CID 122164128

IUPAC1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane
SMILESFCC12CC(CN1)C2
InChIInChI=1S/C6H10FN/c7-4-6-1-5(2-6)3-8-6/h5,8H,1-4H2
InChIKeyKQYYXSBTHZHTLO-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.71
Rot. Bonds1

About 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane

1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane (PubChem CID 122164128) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane
PubChem CID122164128
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane
SMILESFCC12CC(CN1)C2
InChIInChI=1S/C6H10FN/c7-4-6-1-5(2-6)3-8-6/h5,8H,1-4H2
InChIKeyKQYYXSBTHZHTLO-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane (CID 122164128) is 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane is FCC12CC(CN1)C2.
What is the InChIKey of 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is KQYYXSBTHZHTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c7-4-6-1-5(2-6)3-8-6/h5,8H,1-4H2.
What are the key properties of 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane?
1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 115.15 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 122164128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).