potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide

C12H10BF3KNO — CID 55231782

IUPACpotassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCc2ccncc2)cc1.[K+]
InChIInChI=1S/C12H10BF3NO.K/c14-13(15,16)11-1-3-12(4-2-11)18-9-10-5-7-17-8-6-10;/h1-8H,9H2;/q-1;+1
InChIKeyLXDINPBZCFCSDW-UHFFFAOYSA-N
MW291.12 g/mol
LogP-0.28
Rot. Bonds4

About potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide

potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide (PubChem CID 55231782) has the molecular formula C12H10BF3KNO and a molecular weight of 291.12 g/mol. Its IUPAC name is potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide
PubChem CID55231782
Molecular FormulaC12H10BF3KNO
Molecular Weight291.12 g/mol
Exact Mass291.04
IUPAC Namepotassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCc2ccncc2)cc1.[K+]
InChIInChI=1S/C12H10BF3NO.K/c14-13(15,16)11-1-3-12(4-2-11)18-9-10-5-7-17-8-6-10;/h1-8H,9H2;/q-1;+1
InChIKeyLXDINPBZCFCSDW-UHFFFAOYSA-N
XLogP-0.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
trifluoro-[4-(phenoxymethyl)phenyl]boranuide
CID 140775679
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 55234584
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
trifluoro-[2-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 63677237
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677693
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-ol
CID 113323114
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide (CID 55231782) is potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide is F[B-](F)(F)c1ccc(OCc2ccncc2)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide?
The InChIKey is LXDINPBZCFCSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BF3NO.K/c14-13(15,16)11-1-3-12(4-2-11)18-9-10-5-7-17-8-6-10;/h1-8H,9H2;/q-1;+1.
What are the key properties of potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide?
potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide has a molecular weight of 291.12 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide is sourced from PubChem (CID 55231782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).