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

C8H6BF6O- — CID 55233972

IUPACtrifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C8H6BF6O/c10-8(11,12)5-16-7-4-2-1-3-6(7)9(13,14)15/h1-4H,5H2/q-1
InChIKeyXFSZLEJSJCLCMM-UHFFFAOYSA-N
MW242.94 g/mol
LogP2.68
Rot. Bonds3

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

trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide (PubChem CID 55233972) has the molecular formula C8H6BF6O- and a molecular weight of 242.94 g/mol. Its IUPAC name is trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
PubChem CID55233972
Molecular FormulaC8H6BF6O-
Molecular Weight242.94 g/mol
Exact Mass243.04
IUPAC Nametrifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C8H6BF6O/c10-8(11,12)5-16-7-4-2-1-3-6(7)9(13,14)15/h1-4H,5H2/q-1
InChIKeyXFSZLEJSJCLCMM-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.94
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705309
1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
CID 86122224
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
sodium 2-(2,2,2-trifluoroethoxy)benzoate
CID 23667245
trifluoro-[2-(3-methoxypropoxy)phenyl]boranuide
CID 63676844
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
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene
CID 142580801

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide (CID 55233972) is trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide is F[B-](F)(F)c1ccccc1OCC(F)(F)F.
What is the InChIKey of trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide?
The InChIKey is XFSZLEJSJCLCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BF6O/c10-8(11,12)5-16-7-4-2-1-3-6(7)9(13,14)15/h1-4H,5H2/q-1.
What are the key properties of trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide?
trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide has a molecular weight of 242.94 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide is sourced from PubChem (CID 55233972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).