(2-fluoro-3-phenyl-6-propylphenyl)boronic acid

C15H16BFO2 — CID 174997280

IUPAC(2-fluoro-3-phenyl-6-propylphenyl)boronic acid
SMILESCCCc1ccc(-c2ccccc2)c(F)c1B(O)O
InChIInChI=1S/C15H16BFO2/c1-2-6-12-9-10-13(11-7-4-3-5-8-11)15(17)14(12)16(18)19/h3-5,7-10,18-19H,2,6H2,1H3
InChIKeyGTTGZPRRXMWDPG-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.12
Rot. Bonds4

About (2-fluoro-3-phenyl-6-propylphenyl)boronic acid

(2-fluoro-3-phenyl-6-propylphenyl)boronic acid (PubChem CID 174997280) has the molecular formula C15H16BFO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is (2-fluoro-3-phenyl-6-propylphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-3-phenyl-6-propylphenyl)boronic acid
PubChem CID174997280
Molecular FormulaC15H16BFO2
Molecular Weight258.10 g/mol
Exact Mass258.12
IUPAC Name(2-fluoro-3-phenyl-6-propylphenyl)boronic acid
SMILESCCCc1ccc(-c2ccccc2)c(F)c1B(O)O
InChIInChI=1S/C15H16BFO2/c1-2-6-12-9-10-13(11-7-4-3-5-8-11)15(17)14(12)16(18)19/h3-5,7-10,18-19H,2,6H2,1H3
InChIKeyGTTGZPRRXMWDPG-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.12
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 (2-fluoro-3-phenyl-6-propylphenyl)boronic acid?
The IUPAC name of (2-fluoro-3-phenyl-6-propylphenyl)boronic acid (CID 174997280) is (2-fluoro-3-phenyl-6-propylphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-3-phenyl-6-propylphenyl)boronic acid?
The canonical SMILES for (2-fluoro-3-phenyl-6-propylphenyl)boronic acid is CCCc1ccc(-c2ccccc2)c(F)c1B(O)O.
What is the InChIKey of (2-fluoro-3-phenyl-6-propylphenyl)boronic acid?
The InChIKey is GTTGZPRRXMWDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BFO2/c1-2-6-12-9-10-13(11-7-4-3-5-8-11)15(17)14(12)16(18)19/h3-5,7-10,18-19H,2,6H2,1H3.
What are the key properties of (2-fluoro-3-phenyl-6-propylphenyl)boronic acid?
(2-fluoro-3-phenyl-6-propylphenyl)boronic acid has a molecular weight of 258.10 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-phenyl-6-propylphenyl)boronic acid is sourced from PubChem (CID 174997280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).