trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide

C7H15BF3O3- — CID 103176009

IUPACtrifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide
SMILESCOCCCOCCOC[B-](F)(F)F
InChIInChI=1S/C7H15BF3O3/c1-12-3-2-4-13-5-6-14-7-8(9,10)11/h2-7H2,1H3/q-1
InChIKeyGCXTWZIPLCYKAK-UHFFFAOYSA-N
MW215.00 g/mol
LogP1.44
Rot. Bonds9

About trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide

trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide (PubChem CID 103176009) has the molecular formula C7H15BF3O3- and a molecular weight of 215.00 g/mol. Its IUPAC name is trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide
PubChem CID103176009
Molecular FormulaC7H15BF3O3-
Molecular Weight215.00 g/mol
Exact Mass215.11
IUPAC Nametrifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide
SMILESCOCCCOCCOC[B-](F)(F)F
InChIInChI=1S/C7H15BF3O3/c1-12-3-2-4-13-5-6-14-7-8(9,10)11/h2-7H2,1H3/q-1
InChIKeyGCXTWZIPLCYKAK-UHFFFAOYSA-N
XLogP1.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.00
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-(2-methoxyethoxy)propoxymethyl]boranuide
CID 103407199
trifluoro-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]boranuide
CID 140702553
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
potassium trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]prop-1-en-2-yl]boranuide
CID 106746871
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide?
The IUPAC name of trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide (CID 103176009) is trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide.
What is the SMILES notation for trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide?
The canonical SMILES for trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide is COCCCOCCOC[B-](F)(F)F.
What is the InChIKey of trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide?
The InChIKey is GCXTWZIPLCYKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BF3O3/c1-12-3-2-4-13-5-6-14-7-8(9,10)11/h2-7H2,1H3/q-1.
What are the key properties of trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide?
trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide has a molecular weight of 215.00 g/mol, XLogP of 1.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-(3-methoxypropoxy)ethoxymethyl]boranuide is sourced from PubChem (CID 103176009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).