N-fluorobut-2-yn-1-amine

C4H6FN — CID 174063964

IUPACN-fluorobut-2-yn-1-amine
SMILESCC#CCNF
InChIInChI=1S/C4H6FN/c1-2-3-4-6-5/h6H,4H2,1H3
InChIKeyVFHNHQJKOUHQIX-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.48
Rot. Bonds1

About N-fluorobut-2-yn-1-amine

N-fluorobut-2-yn-1-amine (PubChem CID 174063964) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is N-fluorobut-2-yn-1-amine.

Molecular Properties

Compound NameN-fluorobut-2-yn-1-amine
PubChem CID174063964
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC NameN-fluorobut-2-yn-1-amine
SMILESCC#CCNF
InChIInChI=1S/C4H6FN/c1-2-3-4-6-5/h6H,4H2,1H3
InChIKeyVFHNHQJKOUHQIX-UHFFFAOYSA-N
XLogP0.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluorobut-2-yn-1-amine?
The IUPAC name of N-fluorobut-2-yn-1-amine (CID 174063964) is N-fluorobut-2-yn-1-amine.
What is the SMILES notation for N-fluorobut-2-yn-1-amine?
The canonical SMILES for N-fluorobut-2-yn-1-amine is CC#CCNF.
What is the InChIKey of N-fluorobut-2-yn-1-amine?
The InChIKey is VFHNHQJKOUHQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c1-2-3-4-6-5/h6H,4H2,1H3.
What are the key properties of N-fluorobut-2-yn-1-amine?
N-fluorobut-2-yn-1-amine has a molecular weight of 87.10 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluorobut-2-yn-1-amine is sourced from PubChem (CID 174063964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).