4-fluorobut-2-yn-1-amine

C4H6FN — CID 84715964

IUPAC4-fluorobut-2-yn-1-amine
SMILESNCC#CCF
InChIInChI=1S/C4H6FN/c5-3-1-2-4-6/h3-4,6H2
InChIKeyJYVABMNSWSEPFZ-UHFFFAOYSA-N
MW87.10 g/mol
LogP-0.08
Rot. Bonds

About 4-fluorobut-2-yn-1-amine

4-fluorobut-2-yn-1-amine (PubChem CID 84715964) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 4-fluorobut-2-yn-1-amine.

Molecular Properties

Compound Name4-fluorobut-2-yn-1-amine
PubChem CID84715964
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name4-fluorobut-2-yn-1-amine
SMILESNCC#CCF
InChIInChI=1S/C4H6FN/c5-3-1-2-4-6/h3-4,6H2
InChIKeyJYVABMNSWSEPFZ-UHFFFAOYSA-N
XLogP-0.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobut-2-yn-1-amine?
The IUPAC name of 4-fluorobut-2-yn-1-amine (CID 84715964) is 4-fluorobut-2-yn-1-amine.
What is the SMILES notation for 4-fluorobut-2-yn-1-amine?
The canonical SMILES for 4-fluorobut-2-yn-1-amine is NCC#CCF.
What is the InChIKey of 4-fluorobut-2-yn-1-amine?
The InChIKey is JYVABMNSWSEPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c5-3-1-2-4-6/h3-4,6H2.
What are the key properties of 4-fluorobut-2-yn-1-amine?
4-fluorobut-2-yn-1-amine has a molecular weight of 87.10 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-2-yn-1-amine is sourced from PubChem (CID 84715964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).