2-(2,2-difluorocyclopropyl)acetyl chloride

C5H5ClF2O — CID 14458504

IUPAC2-(2,2-difluorocyclopropyl)acetyl chloride
SMILESO=C(Cl)CC1CC1(F)F
InChIInChI=1S/C5H5ClF2O/c6-4(9)1-3-2-5(3,7)8/h3H,1-2H2
InChIKeyGUZYIELWGLJULV-UHFFFAOYSA-N
MW154.54 g/mol
LogP1.80
Rot. Bonds2

About 2-(2,2-difluorocyclopropyl)acetyl chloride

2-(2,2-difluorocyclopropyl)acetyl chloride (PubChem CID 14458504) has the molecular formula C5H5ClF2O and a molecular weight of 154.54 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)acetyl chloride.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)acetyl chloride
PubChem CID14458504
Molecular FormulaC5H5ClF2O
Molecular Weight154.54 g/mol
Exact Mass154.00
IUPAC Name2-(2,2-difluorocyclopropyl)acetyl chloride
SMILESO=C(Cl)CC1CC1(F)F
InChIInChI=1S/C5H5ClF2O/c6-4(9)1-3-2-5(3,7)8/h3H,1-2H2
InChIKeyGUZYIELWGLJULV-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': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)acetyl chloride?
The IUPAC name of 2-(2,2-difluorocyclopropyl)acetyl chloride (CID 14458504) is 2-(2,2-difluorocyclopropyl)acetyl chloride.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)acetyl chloride?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)acetyl chloride is O=C(Cl)CC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)acetyl chloride?
The InChIKey is GUZYIELWGLJULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2O/c6-4(9)1-3-2-5(3,7)8/h3H,1-2H2.
What are the key properties of 2-(2,2-difluorocyclopropyl)acetyl chloride?
2-(2,2-difluorocyclopropyl)acetyl chloride 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-(2,2-difluorocyclopropyl)acetyl chloride is sourced from PubChem (CID 14458504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).