1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol

C20H30F4O6 — CID 166479482

IUPAC1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol
SMILESCCCOCCOCCOCCOCCC(O)Oc1c(F)c(F)c(F)c(CC)c1F
InChIInChI=1S/C20H30F4O6/c1-3-6-26-8-10-28-12-13-29-11-9-27-7-5-15(25)30-20-17(22)14(4-2)16(21)18(23)19(20)24/h15,25H,3-13H2,1-2H3
InChIKeyABMXNPSQGYVYHH-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.37
Rot. Bonds17

About 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol

1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol (PubChem CID 166479482) has the molecular formula C20H30F4O6 and a molecular weight of 442.45 g/mol. Its IUPAC name is 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol
PubChem CID166479482
Molecular FormulaC20H30F4O6
Molecular Weight442.45 g/mol
Exact Mass442.20
IUPAC Name1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol
SMILESCCCOCCOCCOCCOCCC(O)Oc1c(F)c(F)c(F)c(CC)c1F
InChIInChI=1S/C20H30F4O6/c1-3-6-26-8-10-28-12-13-29-11-9-27-7-5-15(25)30-20-17(22)14(4-2)16(21)18(23)19(20)24/h15,25H,3-13H2,1-2H3
InChIKeyABMXNPSQGYVYHH-UHFFFAOYSA-N
XLogP3.37
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-(2,2-Diethoxyethoxy)-2,3-difluorophenyl)ethanol
CID 57988989
4-(2,3,4,6-Tetrafluoro-5-methylphenoxy)butan-1-ol
CID 141834359
2-[5-(1,3-Dihydroxypropan-2-yloxy)-3-(2,3,5,6-tetrafluoro-4-methylphenoxy)pentoxy]propane-1,3-diol
CID 146612046
2-[4-(2,3,4,5,6-Pentafluorophenoxy)butyl]decane-1,1,1-triol
CID 150222123
2-[(2,3,4,5,6-Pentafluorophenoxy)methyl]-1,1-di(propan-2-yloxy)decan-1-ol
CID 150391671
1,1-Diethoxy-2-[(2,3,4,5,6-pentafluorophenoxy)methyl]decan-1-ol
CID 150921908
1,1-Dimethoxy-2-[(2,3,4,5,6-pentafluorophenoxy)methyl]decan-1-ol
CID 151050361
2-[(2,3,4,5,6-Pentafluorophenoxy)methyl]decane-1,1,1-triol
CID 151704166
1-(2,3,4,5,6-Pentafluorophenoxy)tridecan-4-yloxymethanediol
CID 151827158
2-[4-(2,3,4,5,6-Pentafluorophenoxy)butyl]-1,1-di(propan-2-yloxy)decan-1-ol
CID 152154954
1-(2,3,4,5,6-Pentafluorophenoxy)undecan-2-yloxymethanol
CID 152319669
1,1-Diethoxy-2-[4-(2,3,4,5,6-pentafluorophenoxy)butyl]decan-1-ol
CID 152413971

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol?
The IUPAC name of 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol (CID 166479482) is 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol.
What is the SMILES notation for 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol?
The canonical SMILES for 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol is CCCOCCOCCOCCOCCC(O)Oc1c(F)c(F)c(F)c(CC)c1F.
What is the InChIKey of 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol?
The InChIKey is ABMXNPSQGYVYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F4O6/c1-3-6-26-8-10-28-12-13-29-11-9-27-7-5-15(25)30-20-17(22)14(4-2)16(21)18(23)19(20)24/h15,25H,3-13H2,1-2H3.
What are the key properties of 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol?
1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol has a molecular weight of 442.45 g/mol, XLogP of 3.37, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol is sourced from PubChem (CID 166479482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).