2-cyclobutyl-2-fluoroethanamine

C6H12FN — CID 84716016

IUPAC2-cyclobutyl-2-fluoroethanamine
SMILESNCC(F)C1CCC1
InChIInChI=1S/C6H12FN/c7-6(4-8)5-2-1-3-5/h5-6H,1-4,8H2
InChIKeyUUISEOQRSSKMJW-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.08
Rot. Bonds2

About 2-cyclobutyl-2-fluoroethanamine

2-cyclobutyl-2-fluoroethanamine (PubChem CID 84716016) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-cyclobutyl-2-fluoroethanamine.

Molecular Properties

Compound Name2-cyclobutyl-2-fluoroethanamine
PubChem CID84716016
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name2-cyclobutyl-2-fluoroethanamine
SMILESNCC(F)C1CCC1
InChIInChI=1S/C6H12FN/c7-6(4-8)5-2-1-3-5/h5-6H,1-4,8H2
InChIKeyUUISEOQRSSKMJW-UHFFFAOYSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-fluoroethanamine?
The IUPAC name of 2-cyclobutyl-2-fluoroethanamine (CID 84716016) is 2-cyclobutyl-2-fluoroethanamine.
What is the SMILES notation for 2-cyclobutyl-2-fluoroethanamine?
The canonical SMILES for 2-cyclobutyl-2-fluoroethanamine is NCC(F)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-fluoroethanamine?
The InChIKey is UUISEOQRSSKMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c7-6(4-8)5-2-1-3-5/h5-6H,1-4,8H2.
What are the key properties of 2-cyclobutyl-2-fluoroethanamine?
2-cyclobutyl-2-fluoroethanamine has a molecular weight of 117.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-fluoroethanamine is sourced from PubChem (CID 84716016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).