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

C11H3F21O4 — CID 19878587

IUPAC2-[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
SMILESOCC(F)(OC(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H3F21O4/c12-2(1-33,6(18,19)20)34-11(31,32)36-10(29,30)5(17,8(24,25)26)35-9(27,28)4(15,16)3(13,14)7(21,22)23/h33H,1H2
InChIKeyGPUJLCUCVWCJSM-UHFFFAOYSA-N
MW598.10 g/mol
LogP6.05
Rot. Bonds10

About 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

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 (PubChem CID 19878587) has the molecular formula C11H3F21O4 and a molecular weight of 598.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID19878587
Molecular FormulaC11H3F21O4
Molecular Weight598.10 g/mol
Exact Mass597.97
IUPAC Name2-[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
SMILESOCC(F)(OC(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H3F21O4/c12-2(1-33,6(18,19)20)34-11(31,32)36-10(29,30)5(17,8(24,25)26)35-9(27,28)4(15,16)3(13,14)7(21,22)23/h33H,1H2
InChIKeyGPUJLCUCVWCJSM-UHFFFAOYSA-N
XLogP6.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.10
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OCC(F)(OC(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is GPUJLCUCVWCJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F21O4/c12-2(1-33,6(18,19)20)34-11(31,32)36-10(29,30)5(17,8(24,25)26)35-9(27,28)4(15,16)3(13,14)7(21,22)23/h33H,1H2.
What are the key properties of 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?
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 has a molecular weight of 598.10 g/mol, XLogP of 6.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19878587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).