potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide

C14H13BF3KO — CID 63677677

IUPACpotassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1ccc(COc2ccc([B-](F)(F)F)cc2)cc1.[K+]
InChIInChI=1S/C14H13BF3O.K/c1-11-2-4-12(5-3-11)10-19-14-8-6-13(7-9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyNKVXHHNQDZMZHD-UHFFFAOYSA-N
MW304.16 g/mol
LogP0.63
Rot. Bonds4

About potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide

potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide (PubChem CID 63677677) has the molecular formula C14H13BF3KO and a molecular weight of 304.16 g/mol. Its IUPAC name is potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
PubChem CID63677677
Molecular FormulaC14H13BF3KO
Molecular Weight304.16 g/mol
Exact Mass304.06
IUPAC Namepotassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1ccc(COc2ccc([B-](F)(F)F)cc2)cc1.[K+]
InChIInChI=1S/C14H13BF3O.K/c1-11-2-4-12(5-3-11)10-19-14-8-6-13(7-9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1
InChIKeyNKVXHHNQDZMZHD-UHFFFAOYSA-N
XLogP0.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 50.63
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

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
trifluoro-[4-(phenoxymethyl)phenyl]boranuide
CID 140775679
potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 55231782
trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 65202804
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
CID 17054404
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 55234584
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide (CID 63677677) is potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide is Cc1ccc(COc2ccc([B-](F)(F)F)cc2)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide?
The InChIKey is NKVXHHNQDZMZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3O.K/c1-11-2-4-12(5-3-11)10-19-14-8-6-13(7-9-14)15(16,17)18;/h2-9H,10H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide?
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide has a molecular weight of 304.16 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 63677677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).