2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride

C6H8F3NO — CID 156855365

IUPAC2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride
SMILESO=C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C6H8F3NO/c7-5(11)6(8,9)10-3-1-2-4-10/h1-4H2
InChIKeyHVPXFHGDUSONTF-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.17
Rot. Bonds2

About 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride

2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride (PubChem CID 156855365) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride
PubChem CID156855365
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride
SMILESO=C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C6H8F3NO/c7-5(11)6(8,9)10-3-1-2-4-10/h1-4H2
InChIKeyHVPXFHGDUSONTF-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride?
The IUPAC name of 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride (CID 156855365) is 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride?
The canonical SMILES for 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride is O=C(F)C(F)(F)N1CCCC1.
What is the InChIKey of 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride?
The InChIKey is HVPXFHGDUSONTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-5(11)6(8,9)10-3-1-2-4-10/h1-4H2.
What are the key properties of 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride?
2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride has a molecular weight of 167.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-pyrrolidin-1-ylacetyl fluoride is sourced from PubChem (CID 156855365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).