(3-fluorophenyl)-hexyl-diphenylboranuide

C24H27BF- — CID 176748764

IUPAC(3-fluorophenyl)-hexyl-diphenylboranuide
SMILESCCCCCC[B-](c1ccccc1)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C24H27BF/c1-2-3-4-11-19-25(21-13-7-5-8-14-21,22-15-9-6-10-16-22)23-17-12-18-24(26)20-23/h5-10,12-18,20H,2-4,11,19H2,1H3/q-1
InChIKeyLNBBSTJKUMNJPO-UHFFFAOYSA-N
MW345.29 g/mol
LogP4.88
Rot. Bonds8

About (3-fluorophenyl)-hexyl-diphenylboranuide

(3-fluorophenyl)-hexyl-diphenylboranuide (PubChem CID 176748764) has the molecular formula C24H27BF- and a molecular weight of 345.29 g/mol. Its IUPAC name is (3-fluorophenyl)-hexyl-diphenylboranuide.

Molecular Properties

Compound Name(3-fluorophenyl)-hexyl-diphenylboranuide
PubChem CID176748764
Molecular FormulaC24H27BF-
Molecular Weight345.29 g/mol
Exact Mass345.22
IUPAC Name(3-fluorophenyl)-hexyl-diphenylboranuide
SMILESCCCCCC[B-](c1ccccc1)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C24H27BF/c1-2-3-4-11-19-25(21-13-7-5-8-14-21,22-15-9-6-10-16-22)23-17-12-18-24(26)20-23/h5-10,12-18,20H,2-4,11,19H2,1H3/q-1
InChIKeyLNBBSTJKUMNJPO-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 54.88
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

tris(3,5-difluorophenyl)-hexylboranuide
CID 18518851
lithium butyl(triphenyl)boranuide
CID 23668465
(3-chloro-4-methylphenyl)-hexyl-diphenylboranuide
CID 176748771
fluorobenzene;hexane
CID 158112243
hexyl-tris[3-(trifluoromethyl)phenyl]boranuide;tetrabutylazanium
CID 87203345
butyl-tris(3-methylphenyl)boranuide
CID 139835830
butyl(triphenyl)boranuide;diphenyliodanium
CID 10962913
tetrakis(3-fluorophenyl)boranuide;tributylazanium
CID 18315036
butyl(triphenyl)boranuide;trifluoromethanesulfonic acid
CID 171925808
bis(3-chloro-4-methylphenyl)-hexyl-[3-(trifluoromethyl)phenyl]boranuide
CID 174115549
1,3-dipentylbenzene;fluorobenzene
CID 174957175
benzyl(dimethyl)sulfanium;butyl(triphenyl)boranuide
CID 18982460

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-hexyl-diphenylboranuide?
The IUPAC name of (3-fluorophenyl)-hexyl-diphenylboranuide (CID 176748764) is (3-fluorophenyl)-hexyl-diphenylboranuide.
What is the SMILES notation for (3-fluorophenyl)-hexyl-diphenylboranuide?
The canonical SMILES for (3-fluorophenyl)-hexyl-diphenylboranuide is CCCCCC[B-](c1ccccc1)(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-hexyl-diphenylboranuide?
The InChIKey is LNBBSTJKUMNJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BF/c1-2-3-4-11-19-25(21-13-7-5-8-14-21,22-15-9-6-10-16-22)23-17-12-18-24(26)20-23/h5-10,12-18,20H,2-4,11,19H2,1H3/q-1.
What are the key properties of (3-fluorophenyl)-hexyl-diphenylboranuide?
(3-fluorophenyl)-hexyl-diphenylboranuide has a molecular weight of 345.29 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-hexyl-diphenylboranuide is sourced from PubChem (CID 176748764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).