(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid

C22H8BF9O2 — CID 141052266

IUPAC(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid
SMILESOB(Oc1c(F)c(F)c(F)c2c1Cc1ccc(F)c(F)c1-2)C1C(F)=C(F)c2c1ccc(F)c2F
InChIInChI=1S/C22H8BF9O2/c24-9-3-1-6-5-8-12(11(6)15(9)26)17(28)20(31)21(32)22(8)34-23(33)14-7-2-4-10(25)16(27)13(7)18(29)19(14)30/h1-4,14,33H,5H2
InChIKeyOSKADIIBJHADDD-UHFFFAOYSA-N
MW486.10 g/mol
LogP6.03
Rot. Bonds3

About (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid

(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid (PubChem CID 141052266) has the molecular formula C22H8BF9O2 and a molecular weight of 486.10 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid
PubChem CID141052266
Molecular FormulaC22H8BF9O2
Molecular Weight486.10 g/mol
Exact Mass486.05
IUPAC Name(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid
SMILESOB(Oc1c(F)c(F)c(F)c2c1Cc1ccc(F)c(F)c1-2)C1C(F)=C(F)c2c1ccc(F)c2F
InChIInChI=1S/C22H8BF9O2/c24-9-3-1-6-5-8-12(11(6)15(9)26)17(28)20(31)21(32)22(8)34-23(33)14-7-2-4-10(25)16(27)13(7)18(29)19(14)30/h1-4,14,33H,5H2
InChIKeyOSKADIIBJHADDD-UHFFFAOYSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.10
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-heptafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid
CID 141052424
(2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid
CID 141052406
(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-[(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy]-(2,3,4,5,6-pentafluorophenyl)borane
CID 141052328
(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borinic acid
CID 141052415
(2,3,4,5-tetrafluoro-9H-fluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) (2,3,4-trifluorophenyl) borate
CID 139978253
(3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane
CID 141052337
(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-fluoro-1H-inden-1-yl)oxy-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane
CID 141052268
2,3,4,5-tetrafluoro-1-methyl-1H-indene
CID 126756473
O-(2,3,4-trifluoro-9H-fluoren-1-yl)hydroxylamine
CID 150641353
(2,5-difluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]-(2,3,4-trifluorophenyl)borane
CID 141052492
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)borinic acid
CID 141042425

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid?
The IUPAC name of (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid (CID 141052266) is (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid.
What is the SMILES notation for (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid?
The canonical SMILES for (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid is OB(Oc1c(F)c(F)c(F)c2c1Cc1ccc(F)c(F)c1-2)C1C(F)=C(F)c2c1ccc(F)c2F.
What is the InChIKey of (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid?
The InChIKey is OSKADIIBJHADDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8BF9O2/c24-9-3-1-6-5-8-12(11(6)15(9)26)17(28)20(31)21(32)22(8)34-23(33)14-7-2-4-10(25)16(27)13(7)18(29)19(14)30/h1-4,14,33H,5H2.
What are the key properties of (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid?
(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid has a molecular weight of 486.10 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid is sourced from PubChem (CID 141052266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).