carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride

C8H4Cl4F12O2 — CID 164988531

IUPACcarbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride
SMILESCOC(F)=C(F)F.F.FC(F)(Cl)C(F)(Cl)Cl.FC(F)=C(F)Cl.O=C(F)F
InChIInChI=1S/C3H3F3O.C2Cl3F3.C2ClF3.CF2O.FH/c1-7-3(6)2(4)5;3-1(4,6)2(5,7)8;3-1(4)2(5)6;2-1(3)4;/h1H3;;;;1H
InChIKeyGNCIUIAFZTUTMX-UHFFFAOYSA-N
MW501.91 g/mol
LogP8.05
Rot. Bonds2

About carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride

carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride (PubChem CID 164988531) has the molecular formula C8H4Cl4F12O2 and a molecular weight of 501.91 g/mol. Its IUPAC name is carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride.

Molecular Properties

Compound Namecarbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride
PubChem CID164988531
Molecular FormulaC8H4Cl4F12O2
Molecular Weight501.91 g/mol
Exact Mass499.88
IUPAC Namecarbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride
SMILESCOC(F)=C(F)F.F.FC(F)(Cl)C(F)(Cl)Cl.FC(F)=C(F)Cl.O=C(F)F
InChIInChI=1S/C3H3F3O.C2Cl3F3.C2ClF3.CF2O.FH/c1-7-3(6)2(4)5;3-1(4,6)2(5,7)8;3-1(4)2(5)6;2-1(3)4;/h1H3;;;;1H
InChIKeyGNCIUIAFZTUTMX-UHFFFAOYSA-N
XLogP8.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.91
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride?
The IUPAC name of carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride (CID 164988531) is carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride.
What is the SMILES notation for carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride?
The canonical SMILES for carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride is COC(F)=C(F)F.F.FC(F)(Cl)C(F)(Cl)Cl.FC(F)=C(F)Cl.O=C(F)F.
What is the InChIKey of carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride?
The InChIKey is GNCIUIAFZTUTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O.C2Cl3F3.C2ClF3.CF2O.FH/c1-7-3(6)2(4)5;3-1(4,6)2(5,7)8;3-1(4)2(5)6;2-1(3)4;/h1H3;;;;1H.
What are the key properties of carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride?
carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride has a molecular weight of 501.91 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl difluoride;1-chloro-1,2,2-trifluoroethene;1,1,2-trichloro-1,2,2-trifluoroethane;1,1,2-trifluoro-2-methoxyethene;hydrofluoride is sourced from PubChem (CID 164988531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).