2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone

C6H5ClF2O2 — CID 39871133

IUPAC2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone
SMILESO=C(C1=COCC1)C(F)(F)Cl
InChIInChI=1S/C6H5ClF2O2/c7-6(8,9)5(10)4-1-2-11-3-4/h3H,1-2H2
InChIKeyKKMMAGGZZPRLGJ-UHFFFAOYSA-N
MW182.55 g/mol
LogP1.69
Rot. Bonds2

About 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone

2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone (PubChem CID 39871133) has the molecular formula C6H5ClF2O2 and a molecular weight of 182.55 g/mol. Its IUPAC name is 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone
PubChem CID39871133
Molecular FormulaC6H5ClF2O2
Molecular Weight182.55 g/mol
Exact Mass181.99
IUPAC Name2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone
SMILESO=C(C1=COCC1)C(F)(F)Cl
InChIInChI=1S/C6H5ClF2O2/c7-6(8,9)5(10)4-1-2-11-3-4/h3H,1-2H2
InChIKeyKKMMAGGZZPRLGJ-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.55
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone?
The IUPAC name of 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone (CID 39871133) is 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone.
What is the SMILES notation for 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone?
The canonical SMILES for 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone is O=C(C1=COCC1)C(F)(F)Cl.
What is the InChIKey of 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone?
The InChIKey is KKMMAGGZZPRLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2O2/c7-6(8,9)5(10)4-1-2-11-3-4/h3H,1-2H2.
What are the key properties of 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone?
2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone has a molecular weight of 182.55 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone is sourced from PubChem (CID 39871133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).