2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol

C13H22F6O5 — CID 160547919

IUPAC2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol
SMILESCCC(F)(F)CCCOCC(F)(F)OC(F)(F)COCOCCO
InChIInChI=1S/C13H22F6O5/c1-2-11(14,15)4-3-6-21-8-12(16,17)24-13(18,19)9-23-10-22-7-5-20/h20H,2-10H2,1H3
InChIKeyGQHIITHUPUPYBG-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.01
Rot. Bonds15

About 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol

2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol (PubChem CID 160547919) has the molecular formula C13H22F6O5 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol.

Molecular Properties

Compound Name2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol
PubChem CID160547919
Molecular FormulaC13H22F6O5
Molecular Weight372.30 g/mol
Exact Mass372.14
IUPAC Name2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol
SMILESCCC(F)(F)CCCOCC(F)(F)OC(F)(F)COCOCCO
InChIInChI=1S/C13H22F6O5/c1-2-11(14,15)4-3-6-21-8-12(16,17)24-13(18,19)9-23-10-22-7-5-20/h20H,2-10H2,1H3
InChIKeyGQHIITHUPUPYBG-UHFFFAOYSA-N
XLogP3.01
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol
CID 174192245
1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol
CID 157172229
2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
CID 162536878
3,3-difluoro-1-pentoxypentane
CID 175614037
2-(2,2,4,4,4-pentafluorobutoxy)ethanol
CID 168876131
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123262216
2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100959671
2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90068336
2-butoxyethanol
CID 8133
1-[2-[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxymethoxy]ethoxy]-2,2-difluoroethoxy]-4-prop-2-enoxybutan-2-ol
CID 158949763
2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol
CID 167253727
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol?
The IUPAC name of 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol (CID 160547919) is 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol.
What is the SMILES notation for 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol?
The canonical SMILES for 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol is CCC(F)(F)CCCOCC(F)(F)OC(F)(F)COCOCCO.
What is the InChIKey of 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol?
The InChIKey is GQHIITHUPUPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F6O5/c1-2-11(14,15)4-3-6-21-8-12(16,17)24-13(18,19)9-23-10-22-7-5-20/h20H,2-10H2,1H3.
What are the key properties of 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol?
2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol has a molecular weight of 372.30 g/mol, XLogP of 3.01, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol is sourced from PubChem (CID 160547919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).