1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol

C16H30F4O8 — CID 174192245

IUPAC1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol
SMILESCCCOCC(F)(F)OC(F)(F)COCOCCOCC(O)COCCCO
InChIInChI=1S/C16H30F4O8/c1-2-5-25-11-15(17,18)28-16(19,20)12-27-13-26-8-7-24-10-14(22)9-23-6-3-4-21/h14,21-22H,2-13H2,1H3
InChIKeyKINGPMJYBLLQEE-UHFFFAOYSA-N
MW426.40 g/mol
LogP1.38
Rot. Bonds20

About 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol

1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol (PubChem CID 174192245) has the molecular formula C16H30F4O8 and a molecular weight of 426.40 g/mol. Its IUPAC name is 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol
PubChem CID174192245
Molecular FormulaC16H30F4O8
Molecular Weight426.40 g/mol
Exact Mass426.19
IUPAC Name1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol
SMILESCCCOCC(F)(F)OC(F)(F)COCOCCOCC(O)COCCCO
InChIInChI=1S/C16H30F4O8/c1-2-5-25-11-15(17,18)28-16(19,20)12-27-13-26-8-7-24-10-14(22)9-23-6-3-4-21/h14,21-22H,2-13H2,1H3
InChIKeyKINGPMJYBLLQEE-UHFFFAOYSA-N
XLogP1.38
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]hexan-2-ol
CID 167608002
1-[2-[[2-[1,1-difluoro-2-(2-hydroxy-3-prop-2-ynoxypropoxy)ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-prop-2-ynoxypropan-2-ol
CID 160721729
3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide
CID 160829035
1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-ynoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxy-3-prop-2-ynoxypropoxy)propan-2-ol
CID 160855243
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-[2-(4,4-difluorohexoxy)-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethanol
CID 160547919
4-[3-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]butan-1-ol;7-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(4-hydroxybutoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]heptane-1,6-diol
CID 167608252
1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol
CID 167632327
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane
CID 174192252
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol?
The IUPAC name of 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol (CID 174192245) is 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol?
The canonical SMILES for 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol is CCCOCC(F)(F)OC(F)(F)COCOCCOCC(O)COCCCO.
What is the InChIKey of 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol?
The InChIKey is KINGPMJYBLLQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F4O8/c1-2-5-25-11-15(17,18)28-16(19,20)12-27-13-26-8-7-24-10-14(22)9-23-6-3-4-21/h14,21-22H,2-13H2,1H3.
What are the key properties of 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol?
1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol has a molecular weight of 426.40 g/mol, XLogP of 1.38, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-3-(3-hydroxypropoxy)propan-2-ol is sourced from PubChem (CID 174192245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).