trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide

C14H12BF4O- — CID 65202804

IUPACtrifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1ccc(COc2ccc([B-](F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H12BF4O/c1-10-2-4-11(5-3-10)9-20-12-6-7-13(14(16)8-12)15(17,18)19/h2-8H,9H2,1H3/q-1
InChIKeyRNKWEUPQVPXXIS-UHFFFAOYSA-N
MW283.05 g/mol
LogP3.77
Rot. Bonds4

About trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide

trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide (PubChem CID 65202804) has the molecular formula C14H12BF4O- and a molecular weight of 283.05 g/mol. Its IUPAC name is trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide
PubChem CID65202804
Molecular FormulaC14H12BF4O-
Molecular Weight283.05 g/mol
Exact Mass283.09
IUPAC Nametrifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1ccc(COc2ccc([B-](F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H12BF4O/c1-10-2-4-11(5-3-10)9-20-12-6-7-13(14(16)8-12)15(17,18)19/h2-8H,9H2,1H3/q-1
InChIKeyRNKWEUPQVPXXIS-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.05
LogP ≤ 53.77
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-fluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol;methane
CID 158963086
1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
CID 118908563
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
2-fluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol
CID 158646614
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
CID 65202692
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
[4-[(2,5-difluorophenyl)methoxy]-2-methylphenyl]-trifluoroboranuide
CID 113347343
1,3-difluoro-2-isothiocyanato-5-[4-[(4-methylphenyl)methoxy]phenyl]benzene
CID 163880943

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide?
The IUPAC name of trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide (CID 65202804) is trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide?
The canonical SMILES for trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide is Cc1ccc(COc2ccc([B-](F)(F)F)c(F)c2)cc1.
What is the InChIKey of trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide?
The InChIKey is RNKWEUPQVPXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BF4O/c1-10-2-4-11(5-3-10)9-20-12-6-7-13(14(16)8-12)15(17,18)19/h2-8H,9H2,1H3/q-1.
What are the key properties of trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide?
trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide has a molecular weight of 283.05 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 65202804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).