(1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid

C14H11BF2O2 — CID 21019284

IUPAC(1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid
SMILESCc1ccc2c(c1F)Cc1c-2ccc(B(O)O)c1F
InChIInChI=1S/C14H11BF2O2/c1-7-2-3-8-9-4-5-12(15(18)19)14(17)11(9)6-10(8)13(7)16/h2-5,18-19H,6H2,1H3
InChIKeyZWNSLPSBZDGFLS-UHFFFAOYSA-N
MW260.05 g/mol
LogP1.52
Rot. Bonds1

About (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid

(1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid (PubChem CID 21019284) has the molecular formula C14H11BF2O2 and a molecular weight of 260.05 g/mol. Its IUPAC name is (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid.

Molecular Properties

Compound Name(1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid
PubChem CID21019284
Molecular FormulaC14H11BF2O2
Molecular Weight260.05 g/mol
Exact Mass260.08
IUPAC Name(1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid
SMILESCc1ccc2c(c1F)Cc1c-2ccc(B(O)O)c1F
InChIInChI=1S/C14H11BF2O2/c1-7-2-3-8-9-4-5-12(15(18)19)14(17)11(9)6-10(8)13(7)16/h2-5,18-19H,6H2,1H3
InChIKeyZWNSLPSBZDGFLS-UHFFFAOYSA-N
XLogP1.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid?
The IUPAC name of (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid (CID 21019284) is (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid.
What is the SMILES notation for (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid?
The canonical SMILES for (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid is Cc1ccc2c(c1F)Cc1c-2ccc(B(O)O)c1F.
What is the InChIKey of (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid?
The InChIKey is ZWNSLPSBZDGFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BF2O2/c1-7-2-3-8-9-4-5-12(15(18)19)14(17)11(9)6-10(8)13(7)16/h2-5,18-19H,6H2,1H3.
What are the key properties of (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid?
(1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid has a molecular weight of 260.05 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-difluoro-7-methyl-9H-fluoren-2-yl)boronic acid is sourced from PubChem (CID 21019284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).