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

C15H13BF3O- — CID 77016973

IUPACtrifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCC=Cc1ccccc1
InChIInChI=1S/C15H13BF3O/c17-16(18,19)14-10-4-5-11-15(14)20-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/q-1
InChIKeyRXFPESFNZUIVDM-UHFFFAOYSA-N
MW277.07 g/mol
LogP3.83
Rot. Bonds5

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

trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide (PubChem CID 77016973) has the molecular formula C15H13BF3O- and a molecular weight of 277.07 g/mol. Its IUPAC name is trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
PubChem CID77016973
Molecular FormulaC15H13BF3O-
Molecular Weight277.07 g/mol
Exact Mass277.10
IUPAC Nametrifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1OCC=Cc1ccccc1
InChIInChI=1S/C15H13BF3O/c17-16(18,19)14-10-4-5-11-15(14)20-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/q-1
InChIKeyRXFPESFNZUIVDM-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 53.83
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

2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016979
[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 107686405
4-fluoro-2-nitroso-1-[(Z)-3-phenylprop-2-enoxy]benzene
CID 89128134
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
[2-(3-phenylprop-2-enoxy)phenyl]methanimine
CID 173167244
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
trifluoro-[(E)-3-phenylprop-2-enyl]boranuide
CID 101487088
3-fluoro-4-[(E)-3-phenylprop-2-enoxy]benzonitrile
CID 43657498

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide (CID 77016973) is trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide is F[B-](F)(F)c1ccccc1OCC=Cc1ccccc1.
What is the InChIKey of trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide?
The InChIKey is RXFPESFNZUIVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BF3O/c17-16(18,19)14-10-4-5-11-15(14)20-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/q-1.
What are the key properties of trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide?
trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide has a molecular weight of 277.07 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide is sourced from PubChem (CID 77016973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).