dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

C5H2Cl2F6O3 — CID 23148895

IUPACdichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILESClCCl.O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F6O3.CH2Cl2/c5-3(6,7)1(11)13-2(12)4(8,9)10;2-1-3/h;1H2
InChIKeyJJKWXFGSWBDMRB-UHFFFAOYSA-N
MW294.96 g/mol
LogP2.60
Rot. Bonds

About dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate (PubChem CID 23148895) has the molecular formula C5H2Cl2F6O3 and a molecular weight of 294.96 g/mol. Its IUPAC name is dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
PubChem CID23148895
Molecular FormulaC5H2Cl2F6O3
Molecular Weight294.96 g/mol
Exact Mass293.93
IUPAC Namedichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILESClCCl.O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F6O3.CH2Cl2/c5-3(6,7)1(11)13-2(12)4(8,9)10;2-1-3/h;1H2
InChIKeyJJKWXFGSWBDMRB-UHFFFAOYSA-N
XLogP2.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.96
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The IUPAC name of dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate (CID 23148895) is dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The canonical SMILES for dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate is ClCCl.O=C(OC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The InChIKey is JJKWXFGSWBDMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O3.CH2Cl2/c5-3(6,7)1(11)13-2(12)4(8,9)10;2-1-3/h;1H2.
What are the key properties of dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate has a molecular weight of 294.96 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 23148895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).