1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol

C10H2F20O4 — CID 23272905

IUPAC1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol
SMILESOC(C(F)(OC(F)(F)F)C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H2F20O4/c11-2(5(15,16)17,1(31)3(12,6(18,19)20)33-9(25,26)27)32-7(21,22)4(13,14)8(23,24)34-10(28,29)30/h1,31H
InChIKeyMWISNHSPGAYKFW-UHFFFAOYSA-N
MW566.08 g/mol
LogP5.71
Rot. Bonds8

About 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol

1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol (PubChem CID 23272905) has the molecular formula C10H2F20O4 and a molecular weight of 566.08 g/mol. Its IUPAC name is 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol.

Molecular Properties

Compound Name1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol
PubChem CID23272905
Molecular FormulaC10H2F20O4
Molecular Weight566.08 g/mol
Exact Mass565.96
IUPAC Name1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol
SMILESOC(C(F)(OC(F)(F)F)C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H2F20O4/c11-2(5(15,16)17,1(31)3(12,6(18,19)20)33-9(25,26)27)32-7(21,22)4(13,14)8(23,24)34-10(28,29)30/h1,31H
InChIKeyMWISNHSPGAYKFW-UHFFFAOYSA-N
XLogP5.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.08
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol?
The IUPAC name of 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol (CID 23272905) is 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol.
What is the SMILES notation for 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol?
The canonical SMILES for 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol is OC(C(F)(OC(F)(F)F)C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol?
The InChIKey is MWISNHSPGAYKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F20O4/c11-2(5(15,16)17,1(31)3(12,6(18,19)20)33-9(25,26)27)32-7(21,22)4(13,14)8(23,24)34-10(28,29)30/h1,31H.
What are the key properties of 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol?
1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol has a molecular weight of 566.08 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-4-(trifluoromethoxy)pentan-3-ol is sourced from PubChem (CID 23272905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).