2-chloro-1-(2,2-difluorocyclopropyl)ethanone

C5H5ClF2O — CID 146155652

IUPAC2-chloro-1-(2,2-difluorocyclopropyl)ethanone
SMILESO=C(CCl)C1CC1(F)F
InChIInChI=1S/C5H5ClF2O/c6-2-4(9)3-1-5(3,7)8/h3H,1-2H2
InChIKeySNDNJLZTMBNIQY-UHFFFAOYSA-N
MW154.54 g/mol
LogP1.45
Rot. Bonds2

About 2-chloro-1-(2,2-difluorocyclopropyl)ethanone

2-chloro-1-(2,2-difluorocyclopropyl)ethanone (PubChem CID 146155652) has the molecular formula C5H5ClF2O and a molecular weight of 154.54 g/mol. Its IUPAC name is 2-chloro-1-(2,2-difluorocyclopropyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,2-difluorocyclopropyl)ethanone
PubChem CID146155652
Molecular FormulaC5H5ClF2O
Molecular Weight154.54 g/mol
Exact Mass154.00
IUPAC Name2-chloro-1-(2,2-difluorocyclopropyl)ethanone
SMILESO=C(CCl)C1CC1(F)F
InChIInChI=1S/C5H5ClF2O/c6-2-4(9)3-1-5(3,7)8/h3H,1-2H2
InChIKeySNDNJLZTMBNIQY-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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-(2,2-difluorocyclopropyl)ethanone?
The IUPAC name of 2-chloro-1-(2,2-difluorocyclopropyl)ethanone (CID 146155652) is 2-chloro-1-(2,2-difluorocyclopropyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,2-difluorocyclopropyl)ethanone?
The canonical SMILES for 2-chloro-1-(2,2-difluorocyclopropyl)ethanone is O=C(CCl)C1CC1(F)F.
What is the InChIKey of 2-chloro-1-(2,2-difluorocyclopropyl)ethanone?
The InChIKey is SNDNJLZTMBNIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2O/c6-2-4(9)3-1-5(3,7)8/h3H,1-2H2.
What are the key properties of 2-chloro-1-(2,2-difluorocyclopropyl)ethanone?
2-chloro-1-(2,2-difluorocyclopropyl)ethanone has a molecular weight of 154.54 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,2-difluorocyclopropyl)ethanone is sourced from PubChem (CID 146155652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).