1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane

C30H58F4O13 — CID 59364572

IUPAC1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane
SMILESCCOCC(COCC(COCC(COCC(COCC(COCC(COCF)OCF)OCC)OCF)OCC)OCF)OCC
InChIInChI=1S/C30H58F4O13/c1-5-35-9-25(42-6-2)10-36-15-28(45-22-32)16-37-11-26(43-7-3)12-38-17-29(46-23-33)18-39-13-27(44-8-4)14-40-19-30(47-24-34)20-41-21-31/h25-30H,5-24H2,1-4H3
InChIKeyGGFYEYVKTFQPIZ-UHFFFAOYSA-N
MW702.77 g/mol
LogP3.20
Rot. Bonds38

About 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane

1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane (PubChem CID 59364572) has the molecular formula C30H58F4O13 and a molecular weight of 702.77 g/mol. Its IUPAC name is 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane.

Molecular Properties

Compound Name1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane
PubChem CID59364572
Molecular FormulaC30H58F4O13
Molecular Weight702.77 g/mol
Exact Mass702.38
IUPAC Name1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane
SMILESCCOCC(COCC(COCC(COCC(COCC(COCC(COCF)OCF)OCC)OCF)OCC)OCF)OCC
InChIInChI=1S/C30H58F4O13/c1-5-35-9-25(42-6-2)10-36-15-28(45-22-32)16-37-11-26(43-7-3)12-38-17-29(46-23-33)18-39-13-27(44-8-4)14-40-19-30(47-24-34)20-41-21-31/h25-30H,5-24H2,1-4H3
InChIKeyGGFYEYVKTFQPIZ-UHFFFAOYSA-N
XLogP3.20
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds38
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.77
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane?
The IUPAC name of 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane (CID 59364572) is 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane.
What is the SMILES notation for 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane?
The canonical SMILES for 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane is CCOCC(COCC(COCC(COCC(COCC(COCC(COCF)OCF)OCC)OCF)OCC)OCF)OCC.
What is the InChIKey of 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane?
The InChIKey is GGFYEYVKTFQPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58F4O13/c1-5-35-9-25(42-6-2)10-36-15-28(45-22-32)16-37-11-26(43-7-3)12-38-17-29(46-23-33)18-39-13-27(44-8-4)14-40-19-30(47-24-34)20-41-21-31/h25-30H,5-24H2,1-4H3.
What are the key properties of 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane?
1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane has a molecular weight of 702.77 g/mol, XLogP of 3.20, 38 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-[3-[2,3-bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane is sourced from PubChem (CID 59364572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).