(3-fluoro-5-naphthalen-1-ylphenyl)boronic acid

C16H12BFO2 — CID 138113017

IUPAC(3-fluoro-5-naphthalen-1-ylphenyl)boronic acid
SMILESOB(O)c1cc(F)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C16H12BFO2/c18-14-9-12(8-13(10-14)17(19)20)16-7-3-5-11-4-1-2-6-15(11)16/h1-10,19-20H
InChIKeyNBRPGMLKYKNODW-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.33
Rot. Bonds2

About (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid

(3-fluoro-5-naphthalen-1-ylphenyl)boronic acid (PubChem CID 138113017) has the molecular formula C16H12BFO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid.

Molecular Properties

Compound Name(3-fluoro-5-naphthalen-1-ylphenyl)boronic acid
PubChem CID138113017
Molecular FormulaC16H12BFO2
Molecular Weight266.08 g/mol
Exact Mass266.09
IUPAC Name(3-fluoro-5-naphthalen-1-ylphenyl)boronic acid
SMILESOB(O)c1cc(F)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C16H12BFO2/c18-14-9-12(8-13(10-14)17(19)20)16-7-3-5-11-4-1-2-6-15(11)16/h1-10,19-20H
InChIKeyNBRPGMLKYKNODW-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.33
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

[3-(3-isocyanophenyl)-5-naphthalen-1-ylphenyl]boronic acid
CID 171588979
1-(3-bromo-5-fluorophenyl)naphthalene;1,3-dibromo-5-fluorobenzene;2H-naphthalen-2-ylium-1-ylboronic acid
CID 158117982
(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid
CID 177108224
(2-naphthalen-1-ylphenyl)boronic acid
CID 66736681
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
5-fluoro-2-naphthalen-1-ylphenol
CID 83128476
(3-fluoro-2-naphthalen-1-ylphenyl)boronic acid
CID 141134656
CID 70188502
CID 70188502
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
[3-(2-hydroxyphenyl)phenyl]boronic acid
CID 123788338
[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
CID 69442046

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid?
The IUPAC name of (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid (CID 138113017) is (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid.
What is the SMILES notation for (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid?
The canonical SMILES for (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid is OB(O)c1cc(F)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid?
The InChIKey is NBRPGMLKYKNODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BFO2/c18-14-9-12(8-13(10-14)17(19)20)16-7-3-5-11-4-1-2-6-15(11)16/h1-10,19-20H.
What are the key properties of (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid?
(3-fluoro-5-naphthalen-1-ylphenyl)boronic acid has a molecular weight of 266.08 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-naphthalen-1-ylphenyl)boronic acid is sourced from PubChem (CID 138113017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).