3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol

C13H6F22O7 — CID 15472350

IUPAC3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol
SMILESOCC(O)C(F)(F)C(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)F
InChIInChI=1S/C13H6F22O7/c14-3(4(15,16)2(37)1-36)38-5(17,18)6(19,20)39-7(21,22)8(23,24)40-9(25,26)10(27,28)41-11(29,30)12(31,32)42-13(33,34)35/h2-3,36-37H,1H2
InChIKeyBEPAQPDTZBGSPP-UHFFFAOYSA-N
MW692.14 g/mol
LogP5.62
Rot. Bonds16

About 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol

3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol (PubChem CID 15472350) has the molecular formula C13H6F22O7 and a molecular weight of 692.14 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol.

Molecular Properties

Compound Name3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol
PubChem CID15472350
Molecular FormulaC13H6F22O7
Molecular Weight692.14 g/mol
Exact Mass691.98
IUPAC Name3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol
SMILESOCC(O)C(F)(F)C(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)F
InChIInChI=1S/C13H6F22O7/c14-3(4(15,16)2(37)1-36)38-5(17,18)6(19,20)39-7(21,22)8(23,24)40-9(25,26)10(27,28)41-11(29,30)12(31,32)42-13(33,34)35/h2-3,36-37H,1H2
InChIKeyBEPAQPDTZBGSPP-UHFFFAOYSA-N
XLogP5.62
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.14
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol?
The IUPAC name of 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol (CID 15472350) is 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol.
What is the SMILES notation for 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol?
The canonical SMILES for 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol is OCC(O)C(F)(F)C(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)F.
What is the InChIKey of 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol?
The InChIKey is BEPAQPDTZBGSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F22O7/c14-3(4(15,16)2(37)1-36)38-5(17,18)6(19,20)39-7(21,22)8(23,24)40-9(25,26)10(27,28)41-11(29,30)12(31,32)42-13(33,34)35/h2-3,36-37H,1H2.
What are the key properties of 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol?
3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol has a molecular weight of 692.14 g/mol, XLogP of 5.62, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol is sourced from PubChem (CID 15472350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).