trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide

C14H13BF3OSe- — CID 46239828

IUPACtrifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide
SMILESCOc1ccc(C[Se]c2ccc([B-](F)(F)F)cc2)cc1
InChIInChI=1S/C14H13BF3OSe/c1-19-13-6-2-11(3-7-13)10-20-14-8-4-12(5-9-14)15(16,17)18/h2-9H,10H2,1H3/q-1
InChIKeyKSTRLXPKNBPFGY-UHFFFAOYSA-N
MW344.02 g/mol
LogP2.28
Rot. Bonds5

About trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide

trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide (PubChem CID 46239828) has the molecular formula C14H13BF3OSe- and a molecular weight of 344.02 g/mol. Its IUPAC name is trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide
PubChem CID46239828
Molecular FormulaC14H13BF3OSe-
Molecular Weight344.02 g/mol
Exact Mass345.02
IUPAC Nametrifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide
SMILESCOc1ccc(C[Se]c2ccc([B-](F)(F)F)cc2)cc1
InChIInChI=1S/C14H13BF3OSe/c1-19-13-6-2-11(3-7-13)10-20-14-8-4-12(5-9-14)15(16,17)18/h2-9H,10H2,1H3/q-1
InChIKeyKSTRLXPKNBPFGY-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.02
LogP ≤ 52.28
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

trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide
CID 75176015
1-(bromomethylselanyl)-4-methoxybenzene
CID 15584664
potassium trifluoro-[4-(2-methoxyethyl)phenyl]boranuide
CID 63676993
1-(1-deuterio-1-protio(113C)ethyl)selanyl-4-methoxybenzene
CID 58500269
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677
potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide
CID 119005320
potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate
CID 174052012
bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
CID 175536149
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylselanyl]acetaldehyde
CID 71494657
trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63677686
trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide
CID 102401162

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide?
The IUPAC name of trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide (CID 46239828) is trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide?
The canonical SMILES for trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide is COc1ccc(C[Se]c2ccc([B-](F)(F)F)cc2)cc1.
What is the InChIKey of trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide?
The InChIKey is KSTRLXPKNBPFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3OSe/c1-19-13-6-2-11(3-7-13)10-20-14-8-4-12(5-9-14)15(16,17)18/h2-9H,10H2,1H3/q-1.
What are the key properties of trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide?
trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide has a molecular weight of 344.02 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide is sourced from PubChem (CID 46239828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).