2,2-difluoroacetyl chloride;hydrochloride

C2H2Cl2F2O — CID 162572383

IUPAC2,2-difluoroacetyl chloride;hydrochloride
SMILESCl.O=C(Cl)C(F)F
InChIInChI=1S/C2HClF2O.ClH/c3-1(6)2(4)5;/h2H;1H
InChIKeySBHOPFZFEJTVEJ-UHFFFAOYSA-N
MW150.94 g/mol
LogP1.44
Rot. Bonds1

About 2,2-difluoroacetyl chloride;hydrochloride

2,2-difluoroacetyl chloride;hydrochloride (PubChem CID 162572383) has the molecular formula C2H2Cl2F2O and a molecular weight of 150.94 g/mol. Its IUPAC name is 2,2-difluoroacetyl chloride;hydrochloride.

Molecular Properties

Compound Name2,2-difluoroacetyl chloride;hydrochloride
PubChem CID162572383
Molecular FormulaC2H2Cl2F2O
Molecular Weight150.94 g/mol
Exact Mass149.95
IUPAC Name2,2-difluoroacetyl chloride;hydrochloride
SMILESCl.O=C(Cl)C(F)F
InChIInChI=1S/C2HClF2O.ClH/c3-1(6)2(4)5;/h2H;1H
InChIKeySBHOPFZFEJTVEJ-UHFFFAOYSA-N
XLogP1.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.94
LogP ≤ 51.44
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-difluoroacetyl chloride;hydrochloride?
The IUPAC name of 2,2-difluoroacetyl chloride;hydrochloride (CID 162572383) is 2,2-difluoroacetyl chloride;hydrochloride.
What is the SMILES notation for 2,2-difluoroacetyl chloride;hydrochloride?
The canonical SMILES for 2,2-difluoroacetyl chloride;hydrochloride is Cl.O=C(Cl)C(F)F.
What is the InChIKey of 2,2-difluoroacetyl chloride;hydrochloride?
The InChIKey is SBHOPFZFEJTVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O.ClH/c3-1(6)2(4)5;/h2H;1H.
What are the key properties of 2,2-difluoroacetyl chloride;hydrochloride?
2,2-difluoroacetyl chloride;hydrochloride has a molecular weight of 150.94 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroacetyl chloride;hydrochloride is sourced from PubChem (CID 162572383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).