2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone

C6H8ClF2NO — CID 67000527

IUPAC2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone
SMILESO=C(CCl)N1CCC(F)(F)C1
InChIInChI=1S/C6H8ClF2NO/c7-3-5(11)10-2-1-6(8,9)4-10/h1-4H2
InChIKeyGFMNVIXTDGWELB-UHFFFAOYSA-N
MW183.58 g/mol
LogP1.09
Rot. Bonds1

About 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone

2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone (PubChem CID 67000527) has the molecular formula C6H8ClF2NO and a molecular weight of 183.58 g/mol. Its IUPAC name is 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone
PubChem CID67000527
Molecular FormulaC6H8ClF2NO
Molecular Weight183.58 g/mol
Exact Mass183.03
IUPAC Name2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone
SMILESO=C(CCl)N1CCC(F)(F)C1
InChIInChI=1S/C6H8ClF2NO/c7-3-5(11)10-2-1-6(8,9)4-10/h1-4H2
InChIKeyGFMNVIXTDGWELB-UHFFFAOYSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.58
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone (CID 67000527) is 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone is O=C(CCl)N1CCC(F)(F)C1.
What is the InChIKey of 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The InChIKey is GFMNVIXTDGWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2NO/c7-3-5(11)10-2-1-6(8,9)4-10/h1-4H2.
What are the key properties of 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone has a molecular weight of 183.58 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 67000527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).