potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide

C13H11BF3KO — CID 171374151

IUPACpotassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide
SMILESF[B-](F)(F)Cc1ccc(Oc2ccccc2)cc1.[K+]
InChIInChI=1S/C13H11BF3O.K/c15-14(16,17)10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12;/h1-9H,10H2;/q-1;+1
InChIKeyPZBSGSPZZFUILX-UHFFFAOYSA-N
MW290.13 g/mol
LogP1.41
Rot. Bonds4

About potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide

potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide (PubChem CID 171374151) has the molecular formula C13H11BF3KO and a molecular weight of 290.13 g/mol. Its IUPAC name is potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide
PubChem CID171374151
Molecular FormulaC13H11BF3KO
Molecular Weight290.13 g/mol
Exact Mass290.05
IUPAC Namepotassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide
SMILESF[B-](F)(F)Cc1ccc(Oc2ccccc2)cc1.[K+]
InChIInChI=1S/C13H11BF3O.K/c15-14(16,17)10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12;/h1-9H,10H2;/q-1;+1
InChIKeyPZBSGSPZZFUILX-UHFFFAOYSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 51.41
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-[(4-phenoxyphenyl)methyl]boranuide
CID 171374152
potassium phenoxybenzene
CID 19858586
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
potassium;hydride;phenoxybenzene
CID 173391576
1-phenoxy-4-prop-2-ynylbenzene
CID 23267247
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
CID 13188955
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
trifluoro-[(3-phenoxyphenoxy)methyl]boranuide
CID 63702596
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide (CID 171374151) is potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide is F[B-](F)(F)Cc1ccc(Oc2ccccc2)cc1.[K+].
What is the InChIKey of potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide?
The InChIKey is PZBSGSPZZFUILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF3O.K/c15-14(16,17)10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12;/h1-9H,10H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide?
potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide has a molecular weight of 290.13 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-phenoxyphenyl)methyl]boranuide is sourced from PubChem (CID 171374151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).