(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane

C16H9BF10 — CID 140727428

IUPAC(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane
SMILESCC(C)(C)c1c(F)c(F)c(B(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H9BF10/c1-16(2,3)4-7(18)9(20)5(10(21)8(4)19)17(27)6-11(22)13(24)15(26)14(25)12(6)23/h1-3H3
InChIKeyIEZNIILMXIAMBY-UHFFFAOYSA-N
MW402.04 g/mol
LogP4.31
Rot. Bonds2

About (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane

(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 140727428) has the molecular formula C16H9BF10 and a molecular weight of 402.04 g/mol. Its IUPAC name is (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

Compound Name(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane
PubChem CID140727428
Molecular FormulaC16H9BF10
Molecular Weight402.04 g/mol
Exact Mass402.06
IUPAC Name(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane
SMILESCC(C)(C)c1c(F)c(F)c(B(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H9BF10/c1-16(2,3)4-7(18)9(20)5(10(21)8(4)19)17(27)6-11(22)13(24)15(26)14(25)12(6)23/h1-3H3
InChIKeyIEZNIILMXIAMBY-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.04
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane?
The IUPAC name of (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane (CID 140727428) is (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane.
What is the SMILES notation for (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane?
The canonical SMILES for (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane is CC(C)(C)c1c(F)c(F)c(B(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane?
The InChIKey is IEZNIILMXIAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BF10/c1-16(2,3)4-7(18)9(20)5(10(21)8(4)19)17(27)6-11(22)13(24)15(26)14(25)12(6)23/h1-3H3.
What are the key properties of (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane?
(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 402.04 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane is sourced from PubChem (CID 140727428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).