potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide

C15H13BF3KO — CID 77016979

IUPACpotassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCC=Cc2ccccc2)cc1.[K+]
InChIInChI=1S/C15H13BF3O.K/c17-16(18,19)14-8-10-15(11-9-14)20-12-4-7-13-5-2-1-3-6-13;/h1-11H,12H2;/q-1;+1
InChIKeyKTFHYVWLQWWUFX-UHFFFAOYSA-N
MW316.17 g/mol
LogP0.84
Rot. Bonds5

About potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide

potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide (PubChem CID 77016979) has the molecular formula C15H13BF3KO and a molecular weight of 316.17 g/mol. Its IUPAC name is potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide
PubChem CID77016979
Molecular FormulaC15H13BF3KO
Molecular Weight316.17 g/mol
Exact Mass316.06
IUPAC Namepotassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCC=Cc2ccccc2)cc1.[K+]
InChIInChI=1S/C15H13BF3O.K/c17-16(18,19)14-8-10-15(11-9-14)20-12-4-7-13-5-2-1-3-6-13;/h1-11H,12H2;/q-1;+1
InChIKeyKTFHYVWLQWWUFX-UHFFFAOYSA-N
XLogP0.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 50.84
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-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016973
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
CID 135029746
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
CID 54275545
trifluoro-[(E)-3-phenylprop-2-enyl]boranuide
CID 101487088
N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine
CID 79775593
6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
CID 54300411
2-chloro-4-(3-phenylprop-2-enoxy)benzonitrile
CID 76981690

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide (CID 77016979) is potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide is F[B-](F)(F)c1ccc(OCC=Cc2ccccc2)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide?
The InChIKey is KTFHYVWLQWWUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BF3O.K/c17-16(18,19)14-8-10-15(11-9-14)20-12-4-7-13-5-2-1-3-6-13;/h1-11H,12H2;/q-1;+1.
What are the key properties of potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide?
potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide has a molecular weight of 316.17 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide is sourced from PubChem (CID 77016979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).