trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide

C9H9BF3N4O- — CID 107044287

IUPACtrifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
SMILESCn1nnc(COc2ccc([B-](F)(F)F)cc2)n1
InChIInChI=1S/C9H9BF3N4O/c1-17-15-9(14-16-17)6-18-8-4-2-7(3-5-8)10(11,12)13/h2-5H,6H2,1H3/q-1
InChIKeyCEIAYZNDUHDRNT-UHFFFAOYSA-N
MW257.00 g/mol
LogP0.84
Rot. Bonds4

About trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide

trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide (PubChem CID 107044287) has the molecular formula C9H9BF3N4O- and a molecular weight of 257.00 g/mol. Its IUPAC name is trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
PubChem CID107044287
Molecular FormulaC9H9BF3N4O-
Molecular Weight257.00 g/mol
Exact Mass257.08
IUPAC Nametrifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
SMILESCn1nnc(COc2ccc([B-](F)(F)F)cc2)n1
InChIInChI=1S/C9H9BF3N4O/c1-17-15-9(14-16-17)6-18-8-4-2-7(3-5-8)10(11,12)13/h2-5H,6H2,1H3/q-1
InChIKeyCEIAYZNDUHDRNT-UHFFFAOYSA-N
XLogP0.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.00
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate
CID 167802184
2-[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 107051908
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
CID 107043127
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 55234584
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide?
The IUPAC name of trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide (CID 107044287) is trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide?
The canonical SMILES for trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide is Cn1nnc(COc2ccc([B-](F)(F)F)cc2)n1.
What is the InChIKey of trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide?
The InChIKey is CEIAYZNDUHDRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BF3N4O/c1-17-15-9(14-16-17)6-18-8-4-2-7(3-5-8)10(11,12)13/h2-5H,6H2,1H3/q-1.
What are the key properties of trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide?
trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide has a molecular weight of 257.00 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide is sourced from PubChem (CID 107044287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).