3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine

C8H15FN2 — CID 130986162

IUPAC3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESNC1C2CC1CN(CCF)C2
InChIInChI=1S/C8H15FN2/c9-1-2-11-4-6-3-7(5-11)8(6)10/h6-8H,1-5,10H2
InChIKeyNBCLWKFEXFBJMG-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.23
Rot. Bonds2

About 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine

3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 130986162) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID130986162
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESNC1C2CC1CN(CCF)C2
InChIInChI=1S/C8H15FN2/c9-1-2-11-4-6-3-7(5-11)8(6)10/h6-8H,1-5,10H2
InChIKeyNBCLWKFEXFBJMG-UHFFFAOYSA-N
XLogP0.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine (CID 130986162) is 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine is NC1C2CC1CN(CCF)C2.
What is the InChIKey of 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is NBCLWKFEXFBJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-1-2-11-4-6-3-7(5-11)8(6)10/h6-8H,1-5,10H2.
What are the key properties of 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine?
3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 158.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 130986162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).