5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane

C10H8F14O2 — CID 19761973

IUPAC5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
SMILESCCOC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F14O2/c1-2-25-8(9(19,20)21,10(22,23)24)26-3-5(13,14)7(17,18)6(15,16)4(11)12/h4H,2-3H2,1H3
InChIKeyBSWNUHAUHDIVRW-UHFFFAOYSA-N
MW426.14 g/mol
LogP5.03
Rot. Bonds8

About 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane

5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane (PubChem CID 19761973) has the molecular formula C10H8F14O2 and a molecular weight of 426.14 g/mol. Its IUPAC name is 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane.

Molecular Properties

Compound Name5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
PubChem CID19761973
Molecular FormulaC10H8F14O2
Molecular Weight426.14 g/mol
Exact Mass426.03
IUPAC Name5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
SMILESCCOC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F14O2/c1-2-25-8(9(19,20)21,10(22,23)24)26-3-5(13,14)7(17,18)6(15,16)4(11)12/h4H,2-3H2,1H3
InChIKeyBSWNUHAUHDIVRW-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.14
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane?
The IUPAC name of 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane (CID 19761973) is 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane.
What is the SMILES notation for 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane?
The canonical SMILES for 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane is CCOC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane?
The InChIKey is BSWNUHAUHDIVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F14O2/c1-2-25-8(9(19,20)21,10(22,23)24)26-3-5(13,14)7(17,18)6(15,16)4(11)12/h4H,2-3H2,1H3.
What are the key properties of 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane?
5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane has a molecular weight of 426.14 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane is sourced from PubChem (CID 19761973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).