[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid

C10H11BClFO3 — CID 106439016

IUPAC[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid
SMILESC/C(=C/Cl)COc1ccc(F)cc1B(O)O
InChIInChI=1S/C10H11BClFO3/c1-7(5-12)6-16-10-3-2-8(13)4-9(10)11(14)15/h2-5,14-15H,6H2,1H3/b7-5-
InChIKeyIBBNTVNXUOWCDE-ALCCZGGFSA-N
MW244.46 g/mol
LogP1.03
Rot. Bonds4

About [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid

[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid (PubChem CID 106439016) has the molecular formula C10H11BClFO3 and a molecular weight of 244.46 g/mol. Its IUPAC name is [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid
PubChem CID106439016
Molecular FormulaC10H11BClFO3
Molecular Weight244.46 g/mol
Exact Mass244.05
IUPAC Name[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid
SMILESC/C(=C/Cl)COc1ccc(F)cc1B(O)O
InChIInChI=1S/C10H11BClFO3/c1-7(5-12)6-16-10-3-2-8(13)4-9(10)11(14)15/h2-5,14-15H,6H2,1H3/b7-5-
InChIKeyIBBNTVNXUOWCDE-ALCCZGGFSA-N
XLogP1.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]propan-2-amine
CID 106439702
1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene
CID 106440271
[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid
CID 43145388
[2-(3-ethoxypropoxy)-5-fluorophenyl]boronic acid
CID 65175210
[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648202
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
[2-(cyclopropylmethoxymethoxy)-5-fluorophenyl]boronic acid
CID 106929966
potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide
CID 106439057
4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyaniline
CID 106436606
[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid
CID 65445261
2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol
CID 106436628
[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid?
The IUPAC name of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid (CID 106439016) is [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid.
What is the SMILES notation for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid?
The canonical SMILES for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid is C/C(=C/Cl)COc1ccc(F)cc1B(O)O.
What is the InChIKey of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid?
The InChIKey is IBBNTVNXUOWCDE-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H11BClFO3/c1-7(5-12)6-16-10-3-2-8(13)4-9(10)11(14)15/h2-5,14-15H,6H2,1H3/b7-5-.
What are the key properties of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid?
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid has a molecular weight of 244.46 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid is sourced from PubChem (CID 106439016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).