trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide

C15H21BF3- — CID 102401173

IUPACtrifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide
SMILESCCCCCCC/C=C\c1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C15H21BF3/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17,18)19/h8-13H,2-7H2,1H3/q-1/b9-8-
InChIKeyAYJSTYYGWPHYFN-HJWRWDBZSA-N
MW269.14 g/mol
LogP5.11
Rot. Bonds8

About trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide

trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide (PubChem CID 102401173) has the molecular formula C15H21BF3- and a molecular weight of 269.14 g/mol. Its IUPAC name is trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide
PubChem CID102401173
Molecular FormulaC15H21BF3-
Molecular Weight269.14 g/mol
Exact Mass269.17
IUPAC Nametrifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide
SMILESCCCCCCC/C=C\c1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C15H21BF3/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17,18)19/h8-13H,2-7H2,1H3/q-1/b9-8-
InChIKeyAYJSTYYGWPHYFN-HJWRWDBZSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.14
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 102523301
[(E)-octadec-1-enyl]benzene
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CID 173045869
4-[(Z)-oct-1-enyl]benzonitrile
CID 10632395
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483
4-[(E)-hept-1-enyl]-N,N-dimethylaniline
CID 101050911
4-[(E)-non-1-enyl]benzoic acid
CID 19834795
trimethyl-[4-[(E)-non-1-enyl]phenoxy]silane
CID 101261790
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
oct-1-enylbenzene;phosphoric acid
CID 159316508
2-[(E)-docos-1-enyl]naphthalene
CID 101307759

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide?
The IUPAC name of trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide (CID 102401173) is trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide?
The canonical SMILES for trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide is CCCCCCC/C=C\c1ccc([B-](F)(F)F)cc1.
What is the InChIKey of trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide?
The InChIKey is AYJSTYYGWPHYFN-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H21BF3/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17,18)19/h8-13H,2-7H2,1H3/q-1/b9-8-.
What are the key properties of trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide?
trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide has a molecular weight of 269.14 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-[(Z)-non-1-enyl]phenyl]boranuide is sourced from PubChem (CID 102401173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).