bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane

C26H8BF11O2 — CID 141042869

IUPACbis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane
SMILESFc1ccc(F)c(B(Oc2ccc(F)c3c(F)c(F)c(F)cc23)Oc2ccc(F)c3c(F)c(F)c(F)cc23)c1F
InChIInChI=1S/C26H8BF11O2/c28-11-3-5-17(9-7-15(32)23(35)25(37)19(9)11)39-27(21-13(30)1-2-14(31)22(21)34)40-18-6-4-12(29)20-10(18)8-16(33)24(36)26(20)38/h1-8H
InChIKeyAZFJDHDIPJXBRZ-UHFFFAOYSA-N
MW572.14 g/mol
LogP7.38
Rot. Bonds5

About bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane

bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane (PubChem CID 141042869) has the molecular formula C26H8BF11O2 and a molecular weight of 572.14 g/mol. Its IUPAC name is bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane.

Molecular Properties

Compound Namebis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane
PubChem CID141042869
Molecular FormulaC26H8BF11O2
Molecular Weight572.14 g/mol
Exact Mass572.04
IUPAC Namebis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane
SMILESFc1ccc(F)c(B(Oc2ccc(F)c3c(F)c(F)c(F)cc23)Oc2ccc(F)c3c(F)c(F)c(F)cc23)c1F
InChIInChI=1S/C26H8BF11O2/c28-11-3-5-17(9-7-15(32)23(35)25(37)19(9)11)39-27(21-13(30)1-2-14(31)22(21)34)40-18-6-4-12(29)20-10(18)8-16(33)24(36)26(20)38/h1-8H
InChIKeyAZFJDHDIPJXBRZ-UHFFFAOYSA-N
XLogP7.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.14
LogP ≤ 57.38
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'}

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Related Compounds

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane
CID 141042448
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis[(4,5,6-trifluoronaphthalen-1-yl)oxy]borane
CID 141042720
(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid
CID 141042463
(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5,6-pentafluoropyren-1-yl)oxy-(4,5,7-trifluoronaphthalen-1-yl)oxyborane
CID 141042633
(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate
CID 151654204
(2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
CID 139978253
bis(2,3,4-trifluorophenoxy)-(2,3,5-trifluorophenyl)borane
CID 141042886
(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-heptafluoronaphthalen-1-yl) (2,3,4,5,6-pentafluorophenyl) (4,5,6-trifluoronaphthalen-1-yl) borate
CID 152520108
(5,6,7,8-tetrafluoronaphthalen-1-yl) (4,5,7-trifluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
CID 139978246
(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
1,2,5,8-tetrafluoronaphthalene
CID 135202190

Frequently Asked Questions

What is the IUPAC name of bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane?
The IUPAC name of bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane (CID 141042869) is bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane.
What is the SMILES notation for bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane?
The canonical SMILES for bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane is Fc1ccc(F)c(B(Oc2ccc(F)c3c(F)c(F)c(F)cc23)Oc2ccc(F)c3c(F)c(F)c(F)cc23)c1F.
What is the InChIKey of bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane?
The InChIKey is AZFJDHDIPJXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H8BF11O2/c28-11-3-5-17(9-7-15(32)23(35)25(37)19(9)11)39-27(21-13(30)1-2-14(31)22(21)34)40-18-6-4-12(29)20-10(18)8-16(33)24(36)26(20)38/h1-8H.
What are the key properties of bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane?
bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane has a molecular weight of 572.14 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy]-(2,3,6-trifluorophenyl)borane is sourced from PubChem (CID 141042869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).