methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane

C4H4Cl3F3O2 — CID 88815015

IUPACmethyl formate;1,1,2-trichloro-1,2,2-trifluoroethane
SMILESCOC=O.FC(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C2Cl3F3.C2H4O2/c3-1(4,6)2(5,7)8;1-4-2-3/h;2H,1H3
InChIKeyCZKIDXOQSDOZIZ-UHFFFAOYSA-N
MW247.43 g/mol
LogP2.71
Rot. Bonds2

About methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane

methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane (PubChem CID 88815015) has the molecular formula C4H4Cl3F3O2 and a molecular weight of 247.43 g/mol. Its IUPAC name is methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane.

Molecular Properties

Compound Namemethyl formate;1,1,2-trichloro-1,2,2-trifluoroethane
PubChem CID88815015
Molecular FormulaC4H4Cl3F3O2
Molecular Weight247.43 g/mol
Exact Mass245.92
IUPAC Namemethyl formate;1,1,2-trichloro-1,2,2-trifluoroethane
SMILESCOC=O.FC(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C2Cl3F3.C2H4O2/c3-1(4,6)2(5,7)8;1-4-2-3/h;2H,1H3
InChIKeyCZKIDXOQSDOZIZ-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane?
The IUPAC name of methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane (CID 88815015) is methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane.
What is the SMILES notation for methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane?
The canonical SMILES for methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane is COC=O.FC(F)(Cl)C(F)(Cl)Cl.
What is the InChIKey of methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane?
The InChIKey is CZKIDXOQSDOZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl3F3.C2H4O2/c3-1(4,6)2(5,7)8;1-4-2-3/h;2H,1H3.
What are the key properties of methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane?
methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane has a molecular weight of 247.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;1,1,2-trichloro-1,2,2-trifluoroethane is sourced from PubChem (CID 88815015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).