(7-borono-9,9-difluorofluoren-2-yl)boronic acid

C13H10B2F2O4 — CID 140844524

IUPAC(7-borono-9,9-difluorofluoren-2-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)C(F)(F)c1cc(B(O)O)ccc1-2
InChIInChI=1S/C13H10B2F2O4/c16-13(17)11-5-7(14(18)19)1-3-9(11)10-4-2-8(15(20)21)6-12(10)13/h1-6,18-21H
InChIKeyMODJWFRASPBLPX-UHFFFAOYSA-N
MW289.84 g/mol
LogP-0.83
Rot. Bonds2

About (7-borono-9,9-difluorofluoren-2-yl)boronic acid

(7-borono-9,9-difluorofluoren-2-yl)boronic acid (PubChem CID 140844524) has the molecular formula C13H10B2F2O4 and a molecular weight of 289.84 g/mol. Its IUPAC name is (7-borono-9,9-difluorofluoren-2-yl)boronic acid.

Molecular Properties

Compound Name(7-borono-9,9-difluorofluoren-2-yl)boronic acid
PubChem CID140844524
Molecular FormulaC13H10B2F2O4
Molecular Weight289.84 g/mol
Exact Mass290.07
IUPAC Name(7-borono-9,9-difluorofluoren-2-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)C(F)(F)c1cc(B(O)O)ccc1-2
InChIInChI=1S/C13H10B2F2O4/c16-13(17)11-5-7(14(18)19)1-3-9(11)10-4-2-8(15(20)21)6-12(10)13/h1-6,18-21H
InChIKeyMODJWFRASPBLPX-UHFFFAOYSA-N
XLogP-0.83
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.84
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-borono-9,9-difluorofluoren-2-yl)boronic acid?
The IUPAC name of (7-borono-9,9-difluorofluoren-2-yl)boronic acid (CID 140844524) is (7-borono-9,9-difluorofluoren-2-yl)boronic acid.
What is the SMILES notation for (7-borono-9,9-difluorofluoren-2-yl)boronic acid?
The canonical SMILES for (7-borono-9,9-difluorofluoren-2-yl)boronic acid is OB(O)c1ccc2c(c1)C(F)(F)c1cc(B(O)O)ccc1-2.
What is the InChIKey of (7-borono-9,9-difluorofluoren-2-yl)boronic acid?
The InChIKey is MODJWFRASPBLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10B2F2O4/c16-13(17)11-5-7(14(18)19)1-3-9(11)10-4-2-8(15(20)21)6-12(10)13/h1-6,18-21H.
What are the key properties of (7-borono-9,9-difluorofluoren-2-yl)boronic acid?
(7-borono-9,9-difluorofluoren-2-yl)boronic acid has a molecular weight of 289.84 g/mol, XLogP of -0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-borono-9,9-difluorofluoren-2-yl)boronic acid is sourced from PubChem (CID 140844524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).