potassium trifluoro-[hydroxy(phenyl)methyl]boranuide

C7H7BF3KO — CID 154719960

IUPACpotassium trifluoro-[hydroxy(phenyl)methyl]boranuide
SMILESOC(c1ccccc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H7BF3O.K/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7,12H;/q-1;+1
InChIKeyGBHWJJOZFLWIIT-UHFFFAOYSA-N
MW214.04 g/mol
LogP-0.89
Rot. Bonds2

About potassium trifluoro-[hydroxy(phenyl)methyl]boranuide

potassium trifluoro-[hydroxy(phenyl)methyl]boranuide (PubChem CID 154719960) has the molecular formula C7H7BF3KO and a molecular weight of 214.04 g/mol. Its IUPAC name is potassium trifluoro-[hydroxy(phenyl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[hydroxy(phenyl)methyl]boranuide
PubChem CID154719960
Molecular FormulaC7H7BF3KO
Molecular Weight214.04 g/mol
Exact Mass214.02
IUPAC Namepotassium trifluoro-[hydroxy(phenyl)methyl]boranuide
SMILESOC(c1ccccc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H7BF3O.K/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7,12H;/q-1;+1
InChIKeyGBHWJJOZFLWIIT-UHFFFAOYSA-N
XLogP-0.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzhydrylbenzene hexatetrafluoroborate
CID 173334521
1,2-diphenylethane-1,2-diol
CID 159073808
[fluoro(fluoro)methyl]benzene
CID 146164458
(1S)-1,2,2-triphenylethanol
CID 38988933
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
potassium trifluoro(2-phenylpropanoyl)boranuide
CID 154711234
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1S)-1-phenylethanol
CID 157125626
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[hydroxy(phenyl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[hydroxy(phenyl)methyl]boranuide (CID 154719960) is potassium trifluoro-[hydroxy(phenyl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[hydroxy(phenyl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[hydroxy(phenyl)methyl]boranuide is OC(c1ccccc1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[hydroxy(phenyl)methyl]boranuide?
The InChIKey is GBHWJJOZFLWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BF3O.K/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7,12H;/q-1;+1.
What are the key properties of potassium trifluoro-[hydroxy(phenyl)methyl]boranuide?
potassium trifluoro-[hydroxy(phenyl)methyl]boranuide has a molecular weight of 214.04 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[hydroxy(phenyl)methyl]boranuide is sourced from PubChem (CID 154719960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).