(2-ethyl-4-fluorophenyl)boronic acid

C8H10BFO2 — CID 90206315

IUPAC(2-ethyl-4-fluorophenyl)boronic acid
SMILESCCc1cc(F)ccc1B(O)O
InChIInChI=1S/C8H10BFO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5,11-12H,2H2,1H3
InChIKeyVEFCZWRFHVRVLY-UHFFFAOYSA-N
MW167.98 g/mol
LogP0.07
Rot. Bonds2

About (2-ethyl-4-fluorophenyl)boronic acid

(2-ethyl-4-fluorophenyl)boronic acid (PubChem CID 90206315) has the molecular formula C8H10BFO2 and a molecular weight of 167.98 g/mol. Its IUPAC name is (2-ethyl-4-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(2-ethyl-4-fluorophenyl)boronic acid
PubChem CID90206315
Molecular FormulaC8H10BFO2
Molecular Weight167.98 g/mol
Exact Mass168.08
IUPAC Name(2-ethyl-4-fluorophenyl)boronic acid
SMILESCCc1cc(F)ccc1B(O)O
InChIInChI=1S/C8H10BFO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5,11-12H,2H2,1H3
InChIKeyVEFCZWRFHVRVLY-UHFFFAOYSA-N
XLogP0.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.98
LogP ≤ 50.07
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-(aminomethyl)-4-fluorophenyl]boronic acid;hydrochloride
CID 44886926
(2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
CID 161123458
2-ethyl-4-fluorobenzoic acid
CID 22101376
[2-ethyl-4-(hydroxymethyl)phenyl]boronic acid
CID 175955829
2-ethyl-1,4-difluorobenzene
CID 23202513
[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]boronic acid
CID 91758876
[4-fluoro-2-[tri(propan-2-yl)silyloxymethyl]phenyl]boronic acid
CID 66692124
2-ethyl-4-fluorobenzenethiol
CID 91874071
(2-amino-4-fluorophenyl)boronic acid
CID 68784088
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
(4-fluoro-2-methylsulfanylphenyl)boronic acid
CID 53216523
N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
CID 84765578

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-fluorophenyl)boronic acid?
The IUPAC name of (2-ethyl-4-fluorophenyl)boronic acid (CID 90206315) is (2-ethyl-4-fluorophenyl)boronic acid.
What is the SMILES notation for (2-ethyl-4-fluorophenyl)boronic acid?
The canonical SMILES for (2-ethyl-4-fluorophenyl)boronic acid is CCc1cc(F)ccc1B(O)O.
What is the InChIKey of (2-ethyl-4-fluorophenyl)boronic acid?
The InChIKey is VEFCZWRFHVRVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BFO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5,11-12H,2H2,1H3.
What are the key properties of (2-ethyl-4-fluorophenyl)boronic acid?
(2-ethyl-4-fluorophenyl)boronic acid has a molecular weight of 167.98 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-fluorophenyl)boronic acid is sourced from PubChem (CID 90206315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).