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

C12H7F19O4 — CID 151641249

IUPAC4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol
SMILESOCCCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H7F19O4/c13-4(2-1-3-32,7(16,17)18)33-10(25,26)5(14,8(19,20)21)34-11(27,28)6(15,9(22,23)24)35-12(29,30)31/h32H,1-3H2
InChIKeyQSOLOMSNGXKIBK-UHFFFAOYSA-N
MW576.15 g/mol
LogP6.20
Rot. Bonds10

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

4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol (PubChem CID 151641249) has the molecular formula C12H7F19O4 and a molecular weight of 576.15 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol
PubChem CID151641249
Molecular FormulaC12H7F19O4
Molecular Weight576.15 g/mol
Exact Mass576.00
IUPAC Name4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol
SMILESOCCCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H7F19O4/c13-4(2-1-3-32,7(16,17)18)33-10(25,26)5(14,8(19,20)21)34-11(27,28)6(15,9(22,23)24)35-12(29,30)31/h32H,1-3H2
InChIKeyQSOLOMSNGXKIBK-UHFFFAOYSA-N
XLogP6.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.15
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)butane
CID 2776771
2-[2-(2-ethoxyethoxy)ethoxy]ethanol;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 131733370
2-[difluoro-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)propoxy]methoxy]-2,3,3,3-tetrafluoropropan-1-ol
CID 19878587
1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane
CID 169224794
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
CID 87119578
1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
CID 18671047
[3,4,4,4-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,2,2-trifluoro-2-(1-fluoro-3-silylpropoxy)ethoxy]ethoxy]propoxy]butyl]-bis(trifluoromethyl)silane
CID 123809046
4-diethoxyphosphoryl-1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]butane
CID 154734584
trimethyl-[2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2-tetrafluoro-3-trimethylsilyloxypropan-2-yl)oxypropan-2-yl]oxypropoxy]silane
CID 11093133
methyl [2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propyl] carbonate
CID 122450404
2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol
CID 59628167
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol (CID 151641249) is 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol is OCCCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol?
The InChIKey is QSOLOMSNGXKIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F19O4/c13-4(2-1-3-32,7(16,17)18)33-10(25,26)5(14,8(19,20)21)34-11(27,28)6(15,9(22,23)24)35-12(29,30)31/h32H,1-3H2.
What are the key properties of 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol?
4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol has a molecular weight of 576.15 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol is sourced from PubChem (CID 151641249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).