pyrrolidine-1-carbonyl fluoride

C5H8FNO — CID 88732843

IUPACpyrrolidine-1-carbonyl fluoride
SMILESO=C(F)N1CCCC1
InChIInChI=1S/C5H8FNO/c6-5(8)7-3-1-2-4-7/h1-4H2
InChIKeyCAINYLOPJVWSKN-UHFFFAOYSA-N
MW117.12 g/mol
LogP1.17
Rot. Bonds

About pyrrolidine-1-carbonyl fluoride

pyrrolidine-1-carbonyl fluoride (PubChem CID 88732843) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is pyrrolidine-1-carbonyl fluoride.

Molecular Properties

Compound Namepyrrolidine-1-carbonyl fluoride
PubChem CID88732843
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Namepyrrolidine-1-carbonyl fluoride
SMILESO=C(F)N1CCCC1
InChIInChI=1S/C5H8FNO/c6-5(8)7-3-1-2-4-7/h1-4H2
InChIKeyCAINYLOPJVWSKN-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-1-carbonyl fluoride?
The IUPAC name of pyrrolidine-1-carbonyl fluoride (CID 88732843) is pyrrolidine-1-carbonyl fluoride.
What is the SMILES notation for pyrrolidine-1-carbonyl fluoride?
The canonical SMILES for pyrrolidine-1-carbonyl fluoride is O=C(F)N1CCCC1.
What is the InChIKey of pyrrolidine-1-carbonyl fluoride?
The InChIKey is CAINYLOPJVWSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c6-5(8)7-3-1-2-4-7/h1-4H2.
What are the key properties of pyrrolidine-1-carbonyl fluoride?
pyrrolidine-1-carbonyl fluoride has a molecular weight of 117.12 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-1-carbonyl fluoride is sourced from PubChem (CID 88732843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).