2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride

C6H8ClF2NO — CID 105440883

IUPAC2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride
SMILESO=C(Cl)C(F)(F)C1CCCN1
InChIInChI=1S/C6H8ClF2NO/c7-5(11)6(8,9)4-2-1-3-10-4/h4,10H,1-3H2
InChIKeyUTCAYXHUWLPARA-UHFFFAOYSA-N
MW183.58 g/mol
LogP1.14
Rot. Bonds2

About 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride

2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride (PubChem CID 105440883) has the molecular formula C6H8ClF2NO and a molecular weight of 183.58 g/mol. Its IUPAC name is 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride.

Molecular Properties

Compound Name2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride
PubChem CID105440883
Molecular FormulaC6H8ClF2NO
Molecular Weight183.58 g/mol
Exact Mass183.03
IUPAC Name2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride
SMILESO=C(Cl)C(F)(F)C1CCCN1
InChIInChI=1S/C6H8ClF2NO/c7-5(11)6(8,9)4-2-1-3-10-4/h4,10H,1-3H2
InChIKeyUTCAYXHUWLPARA-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.58
LogP ≤ 51.14
H-Bond Donors ≤ 51
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 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride?
The IUPAC name of 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride (CID 105440883) is 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride.
What is the SMILES notation for 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride?
The canonical SMILES for 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride is O=C(Cl)C(F)(F)C1CCCN1.
What is the InChIKey of 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride?
The InChIKey is UTCAYXHUWLPARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2NO/c7-5(11)6(8,9)4-2-1-3-10-4/h4,10H,1-3H2.
What are the key properties of 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride?
2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride has a molecular weight of 183.58 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride is sourced from PubChem (CID 105440883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).