(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid

C13H2BF9O2 — CID 141039667

IUPAC(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid
SMILESOB(O)c1c(F)c(F)c(F)c2c1C(F)(F)c1c(F)c(F)c(F)c(F)c1-2
InChIInChI=1S/C13H2BF9O2/c15-6-1-2-4(8(17)12(21)11(20)7(2)16)13(22,23)3(1)5(14(24)25)9(18)10(6)19/h24-25H
InChIKeyCOHRZEIAHXFIBV-UHFFFAOYSA-N
MW371.95 g/mol
LogP2.46
Rot. Bonds1

About (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid

(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid (PubChem CID 141039667) has the molecular formula C13H2BF9O2 and a molecular weight of 371.95 g/mol. Its IUPAC name is (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid.

Molecular Properties

Compound Name(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid
PubChem CID141039667
Molecular FormulaC13H2BF9O2
Molecular Weight371.95 g/mol
Exact Mass372.00
IUPAC Name(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid
SMILESOB(O)c1c(F)c(F)c(F)c2c1C(F)(F)c1c(F)c(F)c(F)c(F)c1-2
InChIInChI=1S/C13H2BF9O2/c15-6-1-2-4(8(17)12(21)11(20)7(2)16)13(22,23)3(1)5(14(24)25)9(18)10(6)19/h24-25H
InChIKeyCOHRZEIAHXFIBV-UHFFFAOYSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.95
LogP ≤ 52.46
H-Bond Donors ≤ 52
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

(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
CID 141052222
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxyborane
CID 141052278
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2-(2,3,5-trifluorophenyl)phenoxy]borinic acid
CID 141042506
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane
CID 141052376
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)borinic acid
CID 141042425
(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
1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine
CID 141042297
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2-(2,3,5-trifluorophenyl)phenoxy]borane
CID 141042438
3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one
CID 15517472
(2,4,6-trifluoro-3-methylphenyl)boronic acid
CID 24901772
(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 141052407
bis[(1,2,3,4,5,6,7-heptafluoroinden-1-yl)oxy]-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
CID 141052417

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid?
The IUPAC name of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid (CID 141039667) is (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid.
What is the SMILES notation for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid?
The canonical SMILES for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid is OB(O)c1c(F)c(F)c(F)c2c1C(F)(F)c1c(F)c(F)c(F)c(F)c1-2.
What is the InChIKey of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid?
The InChIKey is COHRZEIAHXFIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2BF9O2/c15-6-1-2-4(8(17)12(21)11(20)7(2)16)13(22,23)3(1)5(14(24)25)9(18)10(6)19/h24-25H.
What are the key properties of (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid?
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid has a molecular weight of 371.95 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid is sourced from PubChem (CID 141039667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).