trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide

C9H8BF6O2- — CID 106705309

IUPACtrifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCOCC(F)(F)F
InChIInChI=1S/C9H8BF6O2/c11-9(12,13)5-17-6-18-8-4-2-1-3-7(8)10(14,15)16/h1-4H,5-6H2/q-1
InChIKeyMGONCUTWDNAWBK-UHFFFAOYSA-N
MW272.96 g/mol
LogP2.66
Rot. Bonds5

About trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide

trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide (PubChem CID 106705309) has the molecular formula C9H8BF6O2- and a molecular weight of 272.96 g/mol. Its IUPAC name is trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
PubChem CID106705309
Molecular FormulaC9H8BF6O2-
Molecular Weight272.96 g/mol
Exact Mass273.05
IUPAC Nametrifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCOCC(F)(F)F
InChIInChI=1S/C9H8BF6O2/c11-9(12,13)5-17-6-18-8-4-2-1-3-7(8)10(14,15)16/h1-4H,5-6H2/q-1
InChIKeyMGONCUTWDNAWBK-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.96
LogP ≤ 52.66
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
CID 55233972
potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705328
potassium trifluoro-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705318
potassium trifluoro-[4-fluoro-3-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705337
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676799
4-(chloromethyl)-2-fluoro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 107691406
[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
CID 107690662
trifluoro-[2-(3-methoxypropoxy)phenyl]boranuide
CID 63676844
2-[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 107692532
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide (CID 106705309) is trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide is F[B-](F)(F)c1ccccc1OCOCC(F)(F)F.
What is the InChIKey of trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide?
The InChIKey is MGONCUTWDNAWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BF6O2/c11-9(12,13)5-17-6-18-8-4-2-1-3-7(8)10(14,15)16/h1-4H,5-6H2/q-1.
What are the key properties of trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide?
trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide has a molecular weight of 272.96 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide is sourced from PubChem (CID 106705309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).