trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide

C13H10BF4O- — CID 63678095

IUPACtrifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
SMILESFc1ccc(COc2cccc([B-](F)(F)F)c2)cc1
InChIInChI=1S/C13H10BF4O/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16,17)18/h1-8H,9H2/q-1
InChIKeyWZIZHWBJJPEOMO-UHFFFAOYSA-N
MW269.03 g/mol
LogP3.46
Rot. Bonds4

About trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide

trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide (PubChem CID 63678095) has the molecular formula C13H10BF4O- and a molecular weight of 269.03 g/mol. Its IUPAC name is trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
PubChem CID63678095
Molecular FormulaC13H10BF4O-
Molecular Weight269.03 g/mol
Exact Mass269.08
IUPAC Nametrifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
SMILESFc1ccc(COc2cccc([B-](F)(F)F)c2)cc1
InChIInChI=1S/C13H10BF4O/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16,17)18/h1-8H,9H2/q-1
InChIKeyWZIZHWBJJPEOMO-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.03
LogP ≤ 53.46
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

[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678280
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
trifluoro-[4-(phenoxymethyl)phenyl]boranuide
CID 140775679
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
3-[(4-fluorophenyl)methoxy]benzenecarbothioamide
CID 22686177

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide?
The IUPAC name of trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide (CID 63678095) is trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide?
The canonical SMILES for trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide is Fc1ccc(COc2cccc([B-](F)(F)F)c2)cc1.
What is the InChIKey of trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide?
The InChIKey is WZIZHWBJJPEOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BF4O/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16,17)18/h1-8H,9H2/q-1.
What are the key properties of trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide?
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide has a molecular weight of 269.03 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 63678095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).