(3-fluoro-5-phosphanylphenyl)boronic acid

C6H7BFO2P — CID 163930398

IUPAC(3-fluoro-5-phosphanylphenyl)boronic acid
SMILESOB(O)c1cc(F)cc(P)c1
InChIInChI=1S/C6H7BFO2P/c8-5-1-4(7(9)10)2-6(11)3-5/h1-3,9-10H,11H2
InChIKeyRIETZAMVULNSDP-UHFFFAOYSA-N
MW171.90 g/mol
LogP-0.99
Rot. Bonds1

About (3-fluoro-5-phosphanylphenyl)boronic acid

(3-fluoro-5-phosphanylphenyl)boronic acid (PubChem CID 163930398) has the molecular formula C6H7BFO2P and a molecular weight of 171.90 g/mol. Its IUPAC name is (3-fluoro-5-phosphanylphenyl)boronic acid.

Molecular Properties

Compound Name(3-fluoro-5-phosphanylphenyl)boronic acid
PubChem CID163930398
Molecular FormulaC6H7BFO2P
Molecular Weight171.90 g/mol
Exact Mass172.03
IUPAC Name(3-fluoro-5-phosphanylphenyl)boronic acid
SMILESOB(O)c1cc(F)cc(P)c1
InChIInChI=1S/C6H7BFO2P/c8-5-1-4(7(9)10)2-6(11)3-5/h1-3,9-10H,11H2
InChIKeyRIETZAMVULNSDP-UHFFFAOYSA-N
XLogP-0.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.90
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-phosphanylphenyl)boronic acid?
The IUPAC name of (3-fluoro-5-phosphanylphenyl)boronic acid (CID 163930398) is (3-fluoro-5-phosphanylphenyl)boronic acid.
What is the SMILES notation for (3-fluoro-5-phosphanylphenyl)boronic acid?
The canonical SMILES for (3-fluoro-5-phosphanylphenyl)boronic acid is OB(O)c1cc(F)cc(P)c1.
What is the InChIKey of (3-fluoro-5-phosphanylphenyl)boronic acid?
The InChIKey is RIETZAMVULNSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFO2P/c8-5-1-4(7(9)10)2-6(11)3-5/h1-3,9-10H,11H2.
What are the key properties of (3-fluoro-5-phosphanylphenyl)boronic acid?
(3-fluoro-5-phosphanylphenyl)boronic acid has a molecular weight of 171.90 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-phosphanylphenyl)boronic acid is sourced from PubChem (CID 163930398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).