trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide

C14H21BF3O4- — CID 91659041

IUPACtrifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide
SMILESF[B-](F)(F)COCCOCCOCCOCc1ccccc1
InChIInChI=1S/C14H21BF3O4/c16-15(17,18)13-22-11-9-20-7-6-19-8-10-21-12-14-4-2-1-3-5-14/h1-5H,6-13H2/q-1
InChIKeyFVXBCEIRQIDNHB-UHFFFAOYSA-N
MW321.12 g/mol
LogP2.64
Rot. Bonds13

About trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide

trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide (PubChem CID 91659041) has the molecular formula C14H21BF3O4- and a molecular weight of 321.12 g/mol. Its IUPAC name is trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide
PubChem CID91659041
Molecular FormulaC14H21BF3O4-
Molecular Weight321.12 g/mol
Exact Mass321.15
IUPAC Nametrifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide
SMILESF[B-](F)(F)COCCOCCOCCOCc1ccccc1
InChIInChI=1S/C14H21BF3O4/c16-15(17,18)13-22-11-9-20-7-6-19-8-10-21-12-14-4-2-1-3-5-14/h1-5H,6-13H2/q-1
InChIKeyFVXBCEIRQIDNHB-UHFFFAOYSA-N
XLogP2.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenylmethoxypropyl)boranuide
CID 130588686
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
(4-bromophenyl)methoxymethyl-trifluoroboranuide
CID 82826221
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide?
The IUPAC name of trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide (CID 91659041) is trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide.
What is the SMILES notation for trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide?
The canonical SMILES for trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide is F[B-](F)(F)COCCOCCOCCOCc1ccccc1.
What is the InChIKey of trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide?
The InChIKey is FVXBCEIRQIDNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BF3O4/c16-15(17,18)13-22-11-9-20-7-6-19-8-10-21-12-14-4-2-1-3-5-14/h1-5H,6-13H2/q-1.
What are the key properties of trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide?
trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide has a molecular weight of 321.12 g/mol, XLogP of 2.64, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide is sourced from PubChem (CID 91659041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).