2-chloro-1-cyclopropyl-2,2-difluoroethanone

C5H5ClF2O — CID 112574621

IUPAC2-chloro-1-cyclopropyl-2,2-difluoroethanone
SMILESO=C(C1CC1)C(F)(F)Cl
InChIInChI=1S/C5H5ClF2O/c6-5(7,8)4(9)3-1-2-3/h3H,1-2H2
InChIKeyYOEGXDUEMZPETJ-UHFFFAOYSA-N
MW154.54 g/mol
LogP1.80
Rot. Bonds2

About 2-chloro-1-cyclopropyl-2,2-difluoroethanone

2-chloro-1-cyclopropyl-2,2-difluoroethanone (PubChem CID 112574621) has the molecular formula C5H5ClF2O and a molecular weight of 154.54 g/mol. Its IUPAC name is 2-chloro-1-cyclopropyl-2,2-difluoroethanone.

Molecular Properties

Compound Name2-chloro-1-cyclopropyl-2,2-difluoroethanone
PubChem CID112574621
Molecular FormulaC5H5ClF2O
Molecular Weight154.54 g/mol
Exact Mass154.00
IUPAC Name2-chloro-1-cyclopropyl-2,2-difluoroethanone
SMILESO=C(C1CC1)C(F)(F)Cl
InChIInChI=1S/C5H5ClF2O/c6-5(7,8)4(9)3-1-2-3/h3H,1-2H2
InChIKeyYOEGXDUEMZPETJ-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.54
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-1-(1-fluorocyclopropyl)ethan-1-one
CID 11062445
2-Chloro-1-(2,2-difluorocyclopropyl)ethan-1-one
CID 146155652
1-[(3R)-3-chloro-2,2-difluorocyclopropyl]ethanone
CID 134855549
1-(2-Chloro-2-fluorocyclopropyl)ethanone
CID 59649472
1-Chloro-1,1-difluoro-3-methylpentan-2-one
CID 112575003
2-Chloro-1-[trans-2-fluorocyclopropyl]ethanone
CID 154655197
2-chloro-1-[(1S)-2-fluorocyclopropyl]ethanone
CID 155010267
rel-2-Chloro-1-((1S,2R)-2-fluorocyclopropyl)ethan-1-one
CID 155437229
2-Chloro-1-((1S,2S)-2-fluorocyclopropyl)ethanone
CID 163409794
2-Chloro-1-((1R,2R)-2-fluorocyclopropyl)ethan-1-one
CID 163409796
1-Chloro-1,1-difluoro-4-methylpentan-2-one
CID 112574521
1-Chloro-3-ethyl-1,1-difluoropentan-2-one
CID 112574780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclopropyl-2,2-difluoroethanone?
The IUPAC name of 2-chloro-1-cyclopropyl-2,2-difluoroethanone (CID 112574621) is 2-chloro-1-cyclopropyl-2,2-difluoroethanone.
What is the SMILES notation for 2-chloro-1-cyclopropyl-2,2-difluoroethanone?
The canonical SMILES for 2-chloro-1-cyclopropyl-2,2-difluoroethanone is O=C(C1CC1)C(F)(F)Cl.
What is the InChIKey of 2-chloro-1-cyclopropyl-2,2-difluoroethanone?
The InChIKey is YOEGXDUEMZPETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2O/c6-5(7,8)4(9)3-1-2-3/h3H,1-2H2.
What are the key properties of 2-chloro-1-cyclopropyl-2,2-difluoroethanone?
2-chloro-1-cyclopropyl-2,2-difluoroethanone has a molecular weight of 154.54 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopropyl-2,2-difluoroethanone is sourced from PubChem (CID 112574621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).