2-ethoxyethyl(trifluoro)boranuide

C4H9BF3O- — CID 63702245

IUPAC2-ethoxyethyl(trifluoro)boranuide
SMILESCCOCC[B-](F)(F)F
InChIInChI=1S/C4H9BF3O/c1-2-9-4-3-5(6,7)8/h2-4H2,1H3/q-1
InChIKeyYGEQUNZQSJDSNM-UHFFFAOYSA-N
MW140.92 g/mol
LogP1.87
Rot. Bonds4

About 2-ethoxyethyl(trifluoro)boranuide

2-ethoxyethyl(trifluoro)boranuide (PubChem CID 63702245) has the molecular formula C4H9BF3O- and a molecular weight of 140.92 g/mol. Its IUPAC name is 2-ethoxyethyl(trifluoro)boranuide.

Molecular Properties

Compound Name2-ethoxyethyl(trifluoro)boranuide
PubChem CID63702245
Molecular FormulaC4H9BF3O-
Molecular Weight140.92 g/mol
Exact Mass141.07
IUPAC Name2-ethoxyethyl(trifluoro)boranuide
SMILESCCOCC[B-](F)(F)F
InChIInChI=1S/C4H9BF3O/c1-2-9-4-3-5(6,7)8/h2-4H2,1H3/q-1
InChIKeyYGEQUNZQSJDSNM-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.92
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,2-diethoxyethane;hydrofluoride
CID 175535770
potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide
CID 63691795
sodium;1,2-diethoxyethane;hydride
CID 174903036
1,2-diethoxyethane;ethene
CID 158825770
1,2-diethoxyethane;ethenamine
CID 160675526
2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl-trifluoroboranuide
CID 170899743
1-ethoxypropane;methane
CID 158784820
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
4-ethoxybut-1-ene
CID 533994
diethyloxidanium;ethoxyethane;tetrafluoroborate
CID 11020861
2-ethoxyethanolate
CID 22392618

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl(trifluoro)boranuide?
The IUPAC name of 2-ethoxyethyl(trifluoro)boranuide (CID 63702245) is 2-ethoxyethyl(trifluoro)boranuide.
What is the SMILES notation for 2-ethoxyethyl(trifluoro)boranuide?
The canonical SMILES for 2-ethoxyethyl(trifluoro)boranuide is CCOCC[B-](F)(F)F.
What is the InChIKey of 2-ethoxyethyl(trifluoro)boranuide?
The InChIKey is YGEQUNZQSJDSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BF3O/c1-2-9-4-3-5(6,7)8/h2-4H2,1H3/q-1.
What are the key properties of 2-ethoxyethyl(trifluoro)boranuide?
2-ethoxyethyl(trifluoro)boranuide has a molecular weight of 140.92 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl(trifluoro)boranuide is sourced from PubChem (CID 63702245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).