2-(fluoromethyl)azete

C4H4FN — CID 145329709

IUPAC2-(fluoromethyl)azete
SMILESFCC1=NC=C1
InChIInChI=1S/C4H4FN/c5-3-4-1-2-6-4/h1-2H,3H2
InChIKeyIPFQMCXRWNQHEU-UHFFFAOYSA-N
MW85.08 g/mol
LogP0.92
Rot. Bonds1

About 2-(fluoromethyl)azete

2-(fluoromethyl)azete (PubChem CID 145329709) has the molecular formula C4H4FN and a molecular weight of 85.08 g/mol. Its IUPAC name is 2-(fluoromethyl)azete.

Molecular Properties

Compound Name2-(fluoromethyl)azete
PubChem CID145329709
Molecular FormulaC4H4FN
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Name2-(fluoromethyl)azete
SMILESFCC1=NC=C1
InChIInChI=1S/C4H4FN/c5-3-4-1-2-6-4/h1-2H,3H2
InChIKeyIPFQMCXRWNQHEU-UHFFFAOYSA-N
XLogP0.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.08
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)azete?
The IUPAC name of 2-(fluoromethyl)azete (CID 145329709) is 2-(fluoromethyl)azete.
What is the SMILES notation for 2-(fluoromethyl)azete?
The canonical SMILES for 2-(fluoromethyl)azete is FCC1=NC=C1.
What is the InChIKey of 2-(fluoromethyl)azete?
The InChIKey is IPFQMCXRWNQHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN/c5-3-4-1-2-6-4/h1-2H,3H2.
What are the key properties of 2-(fluoromethyl)azete?
2-(fluoromethyl)azete has a molecular weight of 85.08 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)azete is sourced from PubChem (CID 145329709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).