[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide

C10H13BF3O2- — CID 63676800

IUPAC[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
SMILESCCOCCOc1ccccc1[B-](F)(F)F
InChIInChI=1S/C10H13BF3O2/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14/h3-6H,2,7-8H2,1H3/q-1
InChIKeyFCWMCYJNMNCTNH-UHFFFAOYSA-N
MW233.02 g/mol
LogP2.16
Rot. Bonds6

About [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide

[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide (PubChem CID 63676800) has the molecular formula C10H13BF3O2- and a molecular weight of 233.02 g/mol. Its IUPAC name is [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
PubChem CID63676800
Molecular FormulaC10H13BF3O2-
Molecular Weight233.02 g/mol
Exact Mass233.10
IUPAC Name[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
SMILESCCOCCOc1ccccc1[B-](F)(F)F
InChIInChI=1S/C10H13BF3O2/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14/h3-6H,2,7-8H2,1H3/q-1
InChIKeyFCWMCYJNMNCTNH-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676799
potassium trifluoro-(2-octoxyphenyl)boranuide
CID 63676201
trifluoro-[2-(3-methoxypropoxy)phenyl]boranuide
CID 63676844
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
CID 106726730
potassium trifluoro-[2-(4-methylpentoxy)phenyl]boranuide
CID 83158350
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris[2-(2-ethoxyethoxy)phenyl]selanium
CID 139829816
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
1-(2-ethoxyethoxy)-2-pent-1-en-2-ylbenzene
CID 139905492
[2-(2-ethoxyethoxy)phenyl]-diphenylsulfanium
CID 139829675
trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
CID 55233972
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide?
The IUPAC name of [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide (CID 63676800) is [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide.
What is the SMILES notation for [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide?
The canonical SMILES for [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide is CCOCCOc1ccccc1[B-](F)(F)F.
What is the InChIKey of [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide?
The InChIKey is FCWMCYJNMNCTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O2/c1-2-15-7-8-16-10-6-4-3-5-9(10)11(12,13)14/h3-6H,2,7-8H2,1H3/q-1.
What are the key properties of [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide?
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide has a molecular weight of 233.02 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide is sourced from PubChem (CID 63676800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).