(3-fluoro-2-naphthalen-1-ylphenyl)boronic acid

C16H12BFO2 — CID 141134656

IUPAC(3-fluoro-2-naphthalen-1-ylphenyl)boronic acid
SMILESOB(O)c1cccc(F)c1-c1cccc2ccccc12
InChIInChI=1S/C16H12BFO2/c18-15-10-4-9-14(17(19)20)16(15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,19-20H
InChIKeyYVBGPFIYHVDBAD-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.33
Rot. Bonds2

About (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid

(3-fluoro-2-naphthalen-1-ylphenyl)boronic acid (PubChem CID 141134656) has the molecular formula C16H12BFO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid.

Molecular Properties

Compound Name(3-fluoro-2-naphthalen-1-ylphenyl)boronic acid
PubChem CID141134656
Molecular FormulaC16H12BFO2
Molecular Weight266.08 g/mol
Exact Mass266.09
IUPAC Name(3-fluoro-2-naphthalen-1-ylphenyl)boronic acid
SMILESOB(O)c1cccc(F)c1-c1cccc2ccccc12
InChIInChI=1S/C16H12BFO2/c18-15-10-4-9-14(17(19)20)16(15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,19-20H
InChIKeyYVBGPFIYHVDBAD-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

(2-naphthalen-1-ylphenyl)boronic acid
CID 66736681
(10-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 154381135
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
9-bromoanthracene;9-naphthalen-1-ylanthracene;naphthalen-1-ylboronic acid
CID 158003519
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
naphthalen-1-ylboronic acid;phenylboronic acid
CID 68865440
boric acid;1-naphthalen-1-ylnaphthalen-2-amine
CID 174302114
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
(3-fluoro-5-naphthalen-1-ylphenyl)boronic acid
CID 138113017
(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid
CID 175463508
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid?
The IUPAC name of (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid (CID 141134656) is (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid.
What is the SMILES notation for (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid?
The canonical SMILES for (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid is OB(O)c1cccc(F)c1-c1cccc2ccccc12.
What is the InChIKey of (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid?
The InChIKey is YVBGPFIYHVDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BFO2/c18-15-10-4-9-14(17(19)20)16(15)13-8-3-6-11-5-1-2-7-12(11)13/h1-10,19-20H.
What are the key properties of (3-fluoro-2-naphthalen-1-ylphenyl)boronic acid?
(3-fluoro-2-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-2-naphthalen-1-ylphenyl)boronic acid is sourced from PubChem (CID 141134656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).