2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol

C16H11F24NO7 — CID 88886789

IUPAC2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol
SMILESCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CNCCO
InChIInChI=1S/C16H11F24NO7/c1-5(17,18)43-7(21,22)9(25,26)45-11(29,30)13(33,34)47-15(37,38)16(39,40)48-14(35,36)12(31,32)46-10(27,28)8(23,24)44-6(19,20)4-41-2-3-42/h41-42H,2-4H2,1H3
InChIKeyPSGALYZGBLFELQ-UHFFFAOYSA-N
MW785.22 g/mol
LogP6.80
Rot. Bonds21

About 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol

2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol (PubChem CID 88886789) has the molecular formula C16H11F24NO7 and a molecular weight of 785.22 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol
PubChem CID88886789
Molecular FormulaC16H11F24NO7
Molecular Weight785.22 g/mol
Exact Mass785.02
IUPAC Name2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol
SMILESCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CNCCO
InChIInChI=1S/C16H11F24NO7/c1-5(17,18)43-7(21,22)9(25,26)45-11(29,30)13(33,34)47-15(37,38)16(39,40)48-14(35,36)12(31,32)46-10(27,28)8(23,24)44-6(19,20)4-41-2-3-42/h41-42H,2-4H2,1H3
InChIKeyPSGALYZGBLFELQ-UHFFFAOYSA-N
XLogP6.80
TPSA87.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.22
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol?
The IUPAC name of 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol (CID 88886789) is 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol.
What is the SMILES notation for 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol?
The canonical SMILES for 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol is CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CNCCO.
What is the InChIKey of 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol?
The InChIKey is PSGALYZGBLFELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F24NO7/c1-5(17,18)43-7(21,22)9(25,26)45-11(29,30)13(33,34)47-15(37,38)16(39,40)48-14(35,36)12(31,32)46-10(27,28)8(23,24)44-6(19,20)4-41-2-3-42/h41-42H,2-4H2,1H3.
What are the key properties of 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol?
2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol has a molecular weight of 785.22 g/mol, XLogP of 6.80, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-[2-[2-[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl]amino]ethanol is sourced from PubChem (CID 88886789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).