trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide

C15H15BF3O- — CID 63677902

IUPACtrifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1cccc(COc2ccc([B-](F)(F)F)cc2C)c1
InChIInChI=1S/C15H15BF3O/c1-11-4-3-5-13(8-11)10-20-15-7-6-14(9-12(15)2)16(17,18)19/h3-9H,10H2,1-2H3/q-1
InChIKeyJPGGFUCQSUJQQM-UHFFFAOYSA-N
MW279.09 g/mol
LogP3.94
Rot. Bonds4

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

trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide (PubChem CID 63677902) has the molecular formula C15H15BF3O- and a molecular weight of 279.09 g/mol. Its IUPAC name is trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide
PubChem CID63677902
Molecular FormulaC15H15BF3O-
Molecular Weight279.09 g/mol
Exact Mass279.12
IUPAC Nametrifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide
SMILESCc1cccc(COc2ccc([B-](F)(F)F)cc2C)c1
InChIInChI=1S/C15H15BF3O/c1-11-4-3-5-13(8-11)10-20-15-7-6-14(9-12(15)2)16(17,18)19/h3-9H,10H2,1-2H3/q-1
InChIKeyJPGGFUCQSUJQQM-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 53.94
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-fluoro-3-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 114675053
potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide
CID 63676426
potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 63676819
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
potassium trifluoro-[4-(methoxymethoxy)-3-methylphenyl]boranuide
CID 65364399
5-methyl-2-[(3-methylphenyl)methoxy]phenol
CID 82051938
trifluoro-[4-(4-methoxybutoxy)-3-methylphenyl]boranuide
CID 104648209
1,2,4-tris[(3-methylphenyl)methoxy]benzene
CID 139941740
2-chloro-1-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 82051662
trifluoro-(3-methyl-4-pentoxyphenyl)boranuide
CID 63677890
potassium trifluoro-[3-methyl-4-(2-methylpropoxy)phenyl]boranuide
CID 63677895
4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 63214547

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide?
The IUPAC name of trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide (CID 63677902) is trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide?
The canonical SMILES for trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide is Cc1cccc(COc2ccc([B-](F)(F)F)cc2C)c1.
What is the InChIKey of trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide?
The InChIKey is JPGGFUCQSUJQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BF3O/c1-11-4-3-5-13(8-11)10-20-15-7-6-14(9-12(15)2)16(17,18)19/h3-9H,10H2,1-2H3/q-1.
What are the key properties of trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide?
trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide has a molecular weight of 279.09 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 63677902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).