1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane

C9H7F11O2 — CID 88860218

IUPAC1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane
SMILESCCC(F)(F)C(F)(F)OCC(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C9H7F11O2/c1-2-6(13,14)8(17,18)21-3-7(15,16)9(19,20)22-5(12)4(10)11/h2-3H2,1H3
InChIKeyVIBJMRUIHDRIFH-UHFFFAOYSA-N
MW356.13 g/mol
LogP4.92
Rot. Bonds8

About 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane

1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane (PubChem CID 88860218) has the molecular formula C9H7F11O2 and a molecular weight of 356.13 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane
PubChem CID88860218
Molecular FormulaC9H7F11O2
Molecular Weight356.13 g/mol
Exact Mass356.03
IUPAC Name1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane
SMILESCCC(F)(F)C(F)(F)OCC(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C9H7F11O2/c1-2-6(13,14)8(17,18)21-3-7(15,16)9(19,20)22-5(12)4(10)11/h2-3H2,1H3
InChIKeyVIBJMRUIHDRIFH-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane?
The IUPAC name of 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane (CID 88860218) is 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane is CCC(F)(F)C(F)(F)OCC(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane?
The InChIKey is VIBJMRUIHDRIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F11O2/c1-2-6(13,14)8(17,18)21-3-7(15,16)9(19,20)22-5(12)4(10)11/h2-3H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane?
1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane has a molecular weight of 356.13 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane is sourced from PubChem (CID 88860218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).