trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide

C15H13BF3O- — CID 102401162

IUPACtrifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide
SMILESCOc1ccc(/C=C\c2cccc([B-](F)(F)F)c2)cc1
InChIInChI=1S/C15H13BF3O/c1-20-15-9-7-12(8-10-15)5-6-13-3-2-4-14(11-13)16(17,18)19/h2-11H,1H3/q-1/b6-5-
InChIKeyMHOMIIYWFIFGAQ-WAYWQWQTSA-N
MW277.07 g/mol
LogP3.92
Rot. Bonds4

About trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide

trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide (PubChem CID 102401162) has the molecular formula C15H13BF3O- and a molecular weight of 277.07 g/mol. Its IUPAC name is trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide
PubChem CID102401162
Molecular FormulaC15H13BF3O-
Molecular Weight277.07 g/mol
Exact Mass277.10
IUPAC Nametrifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide
SMILESCOc1ccc(/C=C\c2cccc([B-](F)(F)F)c2)cc1
InChIInChI=1S/C15H13BF3O/c1-20-15-9-7-12(8-10-15)5-6-13-3-2-4-14(11-13)16(17,18)19/h2-11H,1H3/q-1/b6-5-
InChIKeyMHOMIIYWFIFGAQ-WAYWQWQTSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89327803
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide
CID 75176015
4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
CID 86184285
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide?
The IUPAC name of trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide (CID 102401162) is trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide.
What is the SMILES notation for trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide?
The canonical SMILES for trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide is COc1ccc(/C=C\c2cccc([B-](F)(F)F)c2)cc1.
What is the InChIKey of trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide?
The InChIKey is MHOMIIYWFIFGAQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H13BF3O/c1-20-15-9-7-12(8-10-15)5-6-13-3-2-4-14(11-13)16(17,18)19/h2-11H,1H3/q-1/b6-5-.
What are the key properties of trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide?
trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide has a molecular weight of 277.07 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide is sourced from PubChem (CID 102401162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).