2-pyrrolidin-1-ylacetyl fluoride

C6H10FNO — CID 141475302

IUPAC2-pyrrolidin-1-ylacetyl fluoride
SMILESO=C(F)CN1CCCC1
InChIInChI=1S/C6H10FNO/c7-6(9)5-8-3-1-2-4-8/h1-5H2
InChIKeyZJXVPFCYIZWFGW-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.58
Rot. Bonds2

About 2-pyrrolidin-1-ylacetyl fluoride

2-pyrrolidin-1-ylacetyl fluoride (PubChem CID 141475302) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylacetyl fluoride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylacetyl fluoride
PubChem CID141475302
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name2-pyrrolidin-1-ylacetyl fluoride
SMILESO=C(F)CN1CCCC1
InChIInChI=1S/C6H10FNO/c7-6(9)5-8-3-1-2-4-8/h1-5H2
InChIKeyZJXVPFCYIZWFGW-UHFFFAOYSA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylacetyl fluoride?
The IUPAC name of 2-pyrrolidin-1-ylacetyl fluoride (CID 141475302) is 2-pyrrolidin-1-ylacetyl fluoride.
What is the SMILES notation for 2-pyrrolidin-1-ylacetyl fluoride?
The canonical SMILES for 2-pyrrolidin-1-ylacetyl fluoride is O=C(F)CN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylacetyl fluoride?
The InChIKey is ZJXVPFCYIZWFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-6(9)5-8-3-1-2-4-8/h1-5H2.
What are the key properties of 2-pyrrolidin-1-ylacetyl fluoride?
2-pyrrolidin-1-ylacetyl fluoride has a molecular weight of 131.15 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylacetyl fluoride is sourced from PubChem (CID 141475302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).