bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate

C15H16F22O8 — CID 158985817

IUPACbis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate
SMILESC.CC(F)(F)F.COC(=O)COF.FCC(F)(F)C(F)(F)F.FCF.O=C(F)F.O=C(F)F.O=C(OC(F)(F)F)C(F)(F)OF
InChIInChI=1S/C3F6O3.C3H2F6.C3H5FO3.C2H3F3.2CF2O.CH2F2.CH4/c4-2(5,12-9)1(10)11-3(6,7)8;4-1-2(5,6)3(7,8)9;1-6-3(5)2-7-4;1-2(3,4)5;2*2-1(3)4;2-1-3;/h;1H2;2H2,1H3;1H3;;;1H2;1H4
InChIKeyJPOCZLMGDSSKKX-UHFFFAOYSA-N
MW742.24 g/mol
LogP8.94
Rot. Bonds5

About bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate

bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate (PubChem CID 158985817) has the molecular formula C15H16F22O8 and a molecular weight of 742.24 g/mol. Its IUPAC name is bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate.

Molecular Properties

Compound Namebis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate
PubChem CID158985817
Molecular FormulaC15H16F22O8
Molecular Weight742.24 g/mol
Exact Mass742.05
IUPAC Namebis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate
SMILESC.CC(F)(F)F.COC(=O)COF.FCC(F)(F)C(F)(F)F.FCF.O=C(F)F.O=C(F)F.O=C(OC(F)(F)F)C(F)(F)OF
InChIInChI=1S/C3F6O3.C3H2F6.C3H5FO3.C2H3F3.2CF2O.CH2F2.CH4/c4-2(5,12-9)1(10)11-3(6,7)8;4-1-2(5,6)3(7,8)9;1-6-3(5)2-7-4;1-2(3,4)5;2*2-1(3)4;2-1-3;/h;1H2;2H2,1H3;1H3;;;1H2;1H4
InChIKeyJPOCZLMGDSSKKX-UHFFFAOYSA-N
XLogP8.94
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.24
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate?
The IUPAC name of bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate (CID 158985817) is bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate.
What is the SMILES notation for bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate?
The canonical SMILES for bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate is C.CC(F)(F)F.COC(=O)COF.FCC(F)(F)C(F)(F)F.FCF.O=C(F)F.O=C(F)F.O=C(OC(F)(F)F)C(F)(F)OF.
What is the InChIKey of bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate?
The InChIKey is JPOCZLMGDSSKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O3.C3H2F6.C3H5FO3.C2H3F3.2CF2O.CH2F2.CH4/c4-2(5,12-9)1(10)11-3(6,7)8;4-1-2(5,6)3(7,8)9;1-6-3(5)2-7-4;1-2(3,4)5;2*2-1(3)4;2-1-3;/h;1H2;2H2,1H3;1H3;;;1H2;1H4.
What are the key properties of bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate?
bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate has a molecular weight of 742.24 g/mol, XLogP of 8.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbonyl difluoride);difluoromethane;1,1,1,2,2,3-hexafluoropropane;methane;methyl 2-fluorooxyacetate;1,1,1-trifluoroethane;trifluoromethyl 2,2-difluoro-2-fluorooxyacetate is sourced from PubChem (CID 158985817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).