N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine

C8H15FN2 — CID 57246050

IUPACN-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine
SMILESFCCNCC12CNC(C1)C2
InChIInChI=1S/C8H15FN2/c9-1-2-10-5-8-3-7(4-8)11-6-8/h7,10-11H,1-6H2
InChIKeyLGZUJXFRNZQHHZ-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.30
Rot. Bonds4

About N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine

N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine (PubChem CID 57246050) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine.

Molecular Properties

Compound NameN-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine
PubChem CID57246050
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC NameN-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine
SMILESFCCNCC12CNC(C1)C2
InChIInChI=1S/C8H15FN2/c9-1-2-10-5-8-3-7(4-8)11-6-8/h7,10-11H,1-6H2
InChIKeyLGZUJXFRNZQHHZ-UHFFFAOYSA-N
XLogP0.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine?
The IUPAC name of N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine (CID 57246050) is N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine.
What is the SMILES notation for N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine?
The canonical SMILES for N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine is FCCNCC12CNC(C1)C2.
What is the InChIKey of N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine?
The InChIKey is LGZUJXFRNZQHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-1-2-10-5-8-3-7(4-8)11-6-8/h7,10-11H,1-6H2.
What are the key properties of N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine?
N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine has a molecular weight of 158.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.1.1]hexan-4-ylmethyl)-2-fluoroethanamine is sourced from PubChem (CID 57246050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).