potassium trifluoro-(2-octoxyphenyl)boranuide

C14H21BF3KO — CID 63676201

IUPACpotassium trifluoro-(2-octoxyphenyl)boranuide
SMILESCCCCCCCCOc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C14H21BF3O.K/c1-2-3-4-5-6-9-12-19-14-11-8-7-10-13(14)15(16,17)18;/h7-8,10-11H,2-6,9,12H2,1H3;/q-1;+1
InChIKeyHSDCVRIINNWTOQ-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.48
Rot. Bonds9

About potassium trifluoro-(2-octoxyphenyl)boranuide

potassium trifluoro-(2-octoxyphenyl)boranuide (PubChem CID 63676201) has the molecular formula C14H21BF3KO and a molecular weight of 312.22 g/mol. Its IUPAC name is potassium trifluoro-(2-octoxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(2-octoxyphenyl)boranuide
PubChem CID63676201
Molecular FormulaC14H21BF3KO
Molecular Weight312.22 g/mol
Exact Mass312.13
IUPAC Namepotassium trifluoro-(2-octoxyphenyl)boranuide
SMILESCCCCCCCCOc1ccccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C14H21BF3O.K/c1-2-3-4-5-6-9-12-19-14-11-8-7-10-13(14)15(16,17)18;/h7-8,10-11H,2-6,9,12H2,1H3;/q-1;+1
InChIKeyHSDCVRIINNWTOQ-UHFFFAOYSA-N
XLogP1.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.48
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

trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676799
trifluoro-[2-(3-methoxypropoxy)phenyl]boranuide
CID 63676844
potassium trifluoro-[2-(4-methylpentoxy)phenyl]boranuide
CID 83158350
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
CID 106726730
2-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102106864
1-methyl-2-pentadecoxybenzene
CID 154641785
2-tridecoxyphenol
CID 67178320
2-octoxyaniline
CID 14747235
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
1-octadecoxy-2-phenylbenzene
CID 70983974

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(2-octoxyphenyl)boranuide?
The IUPAC name of potassium trifluoro-(2-octoxyphenyl)boranuide (CID 63676201) is potassium trifluoro-(2-octoxyphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(2-octoxyphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(2-octoxyphenyl)boranuide is CCCCCCCCOc1ccccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-(2-octoxyphenyl)boranuide?
The InChIKey is HSDCVRIINNWTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BF3O.K/c1-2-3-4-5-6-9-12-19-14-11-8-7-10-13(14)15(16,17)18;/h7-8,10-11H,2-6,9,12H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(2-octoxyphenyl)boranuide?
potassium trifluoro-(2-octoxyphenyl)boranuide has a molecular weight of 312.22 g/mol, XLogP of 1.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(2-octoxyphenyl)boranuide is sourced from PubChem (CID 63676201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).