trifluoro-[4-(phenoxymethyl)phenyl]boranuide

C13H11BF3O- — CID 140775679

IUPACtrifluoro-[4-(phenoxymethyl)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H11BF3O/c15-14(16,17)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2/q-1
InChIKeyYIQJDJDKBMBEHS-UHFFFAOYSA-N
MW251.04 g/mol
LogP3.32
Rot. Bonds4

About trifluoro-[4-(phenoxymethyl)phenyl]boranuide

trifluoro-[4-(phenoxymethyl)phenyl]boranuide (PubChem CID 140775679) has the molecular formula C13H11BF3O- and a molecular weight of 251.04 g/mol. Its IUPAC name is trifluoro-[4-(phenoxymethyl)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-(phenoxymethyl)phenyl]boranuide
PubChem CID140775679
Molecular FormulaC13H11BF3O-
Molecular Weight251.04 g/mol
Exact Mass251.09
IUPAC Nametrifluoro-[4-(phenoxymethyl)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H11BF3O/c15-14(16,17)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2/q-1
InChIKeyYIQJDJDKBMBEHS-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 53.32
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

potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
potassium trifluoro-[4-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 55231782
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678280
4-(phenoxymethyl)aniline
CID 12712561
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
tris(2,3,4,5,6-pentafluorophenyl)-(4-phenylmethoxyphenyl)boranuide
CID 102345548
trifluoro-[4-[(2-methoxyphenyl)methoxy]phenyl]boranuide
CID 63677704
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-(phenoxymethyl)phenyl]boranuide?
The IUPAC name of trifluoro-[4-(phenoxymethyl)phenyl]boranuide (CID 140775679) is trifluoro-[4-(phenoxymethyl)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-(phenoxymethyl)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-(phenoxymethyl)phenyl]boranuide is F[B-](F)(F)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of trifluoro-[4-(phenoxymethyl)phenyl]boranuide?
The InChIKey is YIQJDJDKBMBEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF3O/c15-14(16,17)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2/q-1.
What are the key properties of trifluoro-[4-(phenoxymethyl)phenyl]boranuide?
trifluoro-[4-(phenoxymethyl)phenyl]boranuide has a molecular weight of 251.04 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-(phenoxymethyl)phenyl]boranuide is sourced from PubChem (CID 140775679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).