1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane

C10H7F13O2 — CID 59364920

IUPAC1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane
SMILESC=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC
InChIInChI=1S/C10H7F13O2/c1-3-5(12,13)8(18,19)25-10(22,23)7(16,17)9(20,21)24-6(14,15)4(2)11/h2-3H2,1H3
InChIKeyPDKFGNLJYBFMOX-UHFFFAOYSA-N
MW406.14 g/mol
LogP5.55
Rot. Bonds9

About 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane

1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane (PubChem CID 59364920) has the molecular formula C10H7F13O2 and a molecular weight of 406.14 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane
PubChem CID59364920
Molecular FormulaC10H7F13O2
Molecular Weight406.14 g/mol
Exact Mass406.02
IUPAC Name1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane
SMILESC=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC
InChIInChI=1S/C10H7F13O2/c1-3-5(12,13)8(18,19)25-10(22,23)7(16,17)9(20,21)24-6(14,15)4(2)11/h2-3H2,1H3
InChIKeyPDKFGNLJYBFMOX-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.14
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane?
The IUPAC name of 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane (CID 59364920) is 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane is C=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane?
The InChIKey is PDKFGNLJYBFMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F13O2/c1-3-5(12,13)8(18,19)25-10(22,23)7(16,17)9(20,21)24-6(14,15)4(2)11/h2-3H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane?
1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane has a molecular weight of 406.14 g/mol, XLogP of 5.55, 9 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-[1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane is sourced from PubChem (CID 59364920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).