(2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid

C9H5BF4O2 — CID 141052406

IUPAC(2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid
SMILESOB(O)C1C(F)=C(F)c2c1ccc(F)c2F
InChIInChI=1S/C9H5BF4O2/c11-4-2-1-3-5(7(4)12)8(13)9(14)6(3)10(15)16/h1-2,6,15-16H
InChIKeyLBNAQMVRHUBJEF-UHFFFAOYSA-N
MW231.94 g/mol
LogP1.68
Rot. Bonds1

About (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid

(2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid (PubChem CID 141052406) has the molecular formula C9H5BF4O2 and a molecular weight of 231.94 g/mol. Its IUPAC name is (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid.

Molecular Properties

Compound Name(2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid
PubChem CID141052406
Molecular FormulaC9H5BF4O2
Molecular Weight231.94 g/mol
Exact Mass232.03
IUPAC Name(2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid
SMILESOB(O)C1C(F)=C(F)c2c1ccc(F)c2F
InChIInChI=1S/C9H5BF4O2/c11-4-2-1-3-5(7(4)12)8(13)9(14)6(3)10(15)16/h1-2,6,15-16H
InChIKeyLBNAQMVRHUBJEF-UHFFFAOYSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.94
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-1-methyl-1H-indene
CID 126756473
(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borinic acid
CID 141052415
(2,3,4,5,6-pentafluoro-9H-fluoren-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borinic acid
CID 141052266
(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-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
(2,5-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)-(2,3,4,5,6-pentafluorophenoxy)-[(2,3,4,5-tetrafluoro-1H-inden-1-yl)oxy]borane
CID 141052376
1,2,4,5,6-pentafluoro-3-(2,3,4-trifluorophenyl)cyclohexa-1,3-diene
CID 71775255
2-(2,3,4-trifluorophenyl)adamantane
CID 91461256
1,2,3-trifluorobenzene
CID 15147
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid?
The IUPAC name of (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid (CID 141052406) is (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid.
What is the SMILES notation for (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid?
The canonical SMILES for (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid is OB(O)C1C(F)=C(F)c2c1ccc(F)c2F.
What is the InChIKey of (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid?
The InChIKey is LBNAQMVRHUBJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BF4O2/c11-4-2-1-3-5(7(4)12)8(13)9(14)6(3)10(15)16/h1-2,6,15-16H.
What are the key properties of (2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid?
(2,3,4,5-tetrafluoro-1H-inden-1-yl)boronic acid has a molecular weight of 231.94 g/mol, XLogP of 1.68, 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-tetrafluoro-1H-inden-1-yl)boronic acid is sourced from PubChem (CID 141052406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).