(2-tert-butyl-5-fluorophenyl)boronic acid

C10H14BFO2 — CID 174006795

IUPAC(2-tert-butyl-5-fluorophenyl)boronic acid
SMILESCC(C)(C)c1ccc(F)cc1B(O)O
InChIInChI=1S/C10H14BFO2/c1-10(2,3)8-5-4-7(12)6-9(8)11(13)14/h4-6,13-14H,1-3H3
InChIKeyNZWOYJYISJDEAX-UHFFFAOYSA-N
MW196.03 g/mol
LogP0.80
Rot. Bonds1

About (2-tert-butyl-5-fluorophenyl)boronic acid

(2-tert-butyl-5-fluorophenyl)boronic acid (PubChem CID 174006795) has the molecular formula C10H14BFO2 and a molecular weight of 196.03 g/mol. Its IUPAC name is (2-tert-butyl-5-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(2-tert-butyl-5-fluorophenyl)boronic acid
PubChem CID174006795
Molecular FormulaC10H14BFO2
Molecular Weight196.03 g/mol
Exact Mass196.11
IUPAC Name(2-tert-butyl-5-fluorophenyl)boronic acid
SMILESCC(C)(C)c1ccc(F)cc1B(O)O
InChIInChI=1S/C10H14BFO2/c1-10(2,3)8-5-4-7(12)6-9(8)11(13)14/h4-6,13-14H,1-3H3
InChIKeyNZWOYJYISJDEAX-UHFFFAOYSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 50.80
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

[5-fluoro-2-(2-hydroxypropan-2-yl)phenyl]boronic acid
CID 55265948
(4-tert-butyl-3-fluorophenyl)boronic acid
CID 140655563
2-tert-butyl-5-fluoro-N,N-dimethylaniline
CID 153310692
1-tert-butyl-4-fluoro-2-isocyanobenzene
CID 59701587
[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
CID 167728053
[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
CID 167729414
(3,5-ditert-butyl-4-fluorophenyl)boronic acid
CID 70872894
(2-amino-4-fluorophenyl)boronic acid
CID 68784088
[2-(2,2-dimethylpropyl)-5-fluorophenyl]-methylborinic acid
CID 158120577
N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide
CID 171399333
1,3-bis(3,5-ditert-butylphenyl)propan-2-one;(2,5-ditert-butylphenyl)boronic acid
CID 158492954
(4-fluoro-2-methylsulfanylphenyl)boronic acid
CID 53216523

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5-fluorophenyl)boronic acid?
The IUPAC name of (2-tert-butyl-5-fluorophenyl)boronic acid (CID 174006795) is (2-tert-butyl-5-fluorophenyl)boronic acid.
What is the SMILES notation for (2-tert-butyl-5-fluorophenyl)boronic acid?
The canonical SMILES for (2-tert-butyl-5-fluorophenyl)boronic acid is CC(C)(C)c1ccc(F)cc1B(O)O.
What is the InChIKey of (2-tert-butyl-5-fluorophenyl)boronic acid?
The InChIKey is NZWOYJYISJDEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BFO2/c1-10(2,3)8-5-4-7(12)6-9(8)11(13)14/h4-6,13-14H,1-3H3.
What are the key properties of (2-tert-butyl-5-fluorophenyl)boronic acid?
(2-tert-butyl-5-fluorophenyl)boronic acid has a molecular weight of 196.03 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5-fluorophenyl)boronic acid is sourced from PubChem (CID 174006795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).