bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane

C18H6BF9O2 — CID 141042886

IUPACbis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane
SMILESFc1cc(F)c(F)c(B(Oc2ccc(F)c(F)c2F)Oc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H6BF9O2/c20-7-5-8(14(24)11(23)6-7)19(29-12-3-1-9(21)15(25)17(12)27)30-13-4-2-10(22)16(26)18(13)28/h1-6H
InChIKeyRCGPLZUUXUORFN-UHFFFAOYSA-N
MW436.04 g/mol
LogP4.79
Rot. Bonds5

About bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane

bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane (PubChem CID 141042886) has the molecular formula C18H6BF9O2 and a molecular weight of 436.04 g/mol. Its IUPAC name is bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane.

Molecular Properties

Compound Namebis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane
PubChem CID141042886
Molecular FormulaC18H6BF9O2
Molecular Weight436.04 g/mol
Exact Mass436.03
IUPAC Namebis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane
SMILESFc1cc(F)c(F)c(B(Oc2ccc(F)c(F)c2F)Oc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H6BF9O2/c20-7-5-8(14(24)11(23)6-7)19(29-12-3-1-9(21)15(25)17(12)27)30-13-4-2-10(22)16(26)18(13)28/h1-6H
InChIKeyRCGPLZUUXUORFN-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.04
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3,4,5,6-pentafluorophenoxy)-(2,3,4,5,6-pentafluoropyren-1-yl)oxy-(2,3,5-trifluorophenyl)borane
CID 141042565
bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane
CID 141042869
(5,6,7,8-tetrafluoronaphthalen-1-yl) (4,5,7-trifluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
CID 139978246
(2,3,4-trifluorophenyl)phosphane;(2,3,5-trifluorophenyl)phosphane
CID 143472121
[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite
CID 53402040
(2,4,6-trifluoro-3-methoxyphenyl)-bis(2,3,5-trifluorophenyl)borane
CID 177045558
(2,3,4-trifluorophenyl) cyanate
CID 153457269
(2,5-difluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]-(2,3,4-trifluorophenyl)borane
CID 141052492
(2,5-difluorophenyl)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane
CID 141052331
(2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane
CID 141042602
(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)oxy-(2,3,4,5,6-pentafluorophenyl)-(2,3,5-trifluorophenoxy)borane
CID 141045146
[5-bis(2,3,4-trifluorophenoxy)boranyloxy-2,3,4-trifluorophenyl]-triethylazanium;1,2,3-trifluorobenzene-6-ide
CID 139772610

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane?
The IUPAC name of bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane (CID 141042886) is bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane.
What is the SMILES notation for bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane?
The canonical SMILES for bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane is Fc1cc(F)c(F)c(B(Oc2ccc(F)c(F)c2F)Oc2ccc(F)c(F)c2F)c1.
What is the InChIKey of bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane?
The InChIKey is RCGPLZUUXUORFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6BF9O2/c20-7-5-8(14(24)11(23)6-7)19(29-12-3-1-9(21)15(25)17(12)27)30-13-4-2-10(22)16(26)18(13)28/h1-6H.
What are the key properties of bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane?
bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane has a molecular weight of 436.04 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane is sourced from PubChem (CID 141042886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).