(3-amino-2-fluorophenyl)boronic acid;hydrochloride

C6H8BClFNO2 — CID 156808970

IUPAC(3-amino-2-fluorophenyl)boronic acid;hydrochloride
SMILESCl.Nc1cccc(B(O)O)c1F
InChIInChI=1S/C6H7BFNO2.ClH/c8-6-4(7(10)11)2-1-3-5(6)9;/h1-3,10-11H,9H2;1H
InChIKeyZEXPCQCHTFSNSR-UHFFFAOYSA-N
MW191.40 g/mol
LogP-0.49
Rot. Bonds1

About (3-amino-2-fluorophenyl)boronic acid;hydrochloride

(3-amino-2-fluorophenyl)boronic acid;hydrochloride (PubChem CID 156808970) has the molecular formula C6H8BClFNO2 and a molecular weight of 191.40 g/mol. Its IUPAC name is (3-amino-2-fluorophenyl)boronic acid;hydrochloride.

Molecular Properties

Compound Name(3-amino-2-fluorophenyl)boronic acid;hydrochloride
PubChem CID156808970
Molecular FormulaC6H8BClFNO2
Molecular Weight191.40 g/mol
Exact Mass191.03
IUPAC Name(3-amino-2-fluorophenyl)boronic acid;hydrochloride
SMILESCl.Nc1cccc(B(O)O)c1F
InChIInChI=1S/C6H7BFNO2.ClH/c8-6-4(7(10)11)2-1-3-5(6)9;/h1-3,10-11H,9H2;1H
InChIKeyZEXPCQCHTFSNSR-UHFFFAOYSA-N
XLogP-0.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.40
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-fluorophenol;ethane
CID 155586440
[3-amino-2-(1,1,2,2,2-pentafluoroethyl)phenyl]boronic acid
CID 139652160
[3-amino-2-[chloro(difluoro)methyl]phenyl]boronic acid
CID 139621750
(2-aminophenyl)-methylborinic acid
CID 145243646
(2-fluoro-3-propan-2-yloxyphenyl)boronic acid
CID 46738972
(3-amino-2-cyclopentylphenyl)boronic acid
CID 68783806
(2-amino-4-fluorophenyl)boronic acid
CID 68784088
3-amino-2-fluorobenzaldehyde
CID 55282197
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
2-amino-6-fluorophenol;hydrochloride
CID 174428630
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid
CID 53216501

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-fluorophenyl)boronic acid;hydrochloride?
The IUPAC name of (3-amino-2-fluorophenyl)boronic acid;hydrochloride (CID 156808970) is (3-amino-2-fluorophenyl)boronic acid;hydrochloride.
What is the SMILES notation for (3-amino-2-fluorophenyl)boronic acid;hydrochloride?
The canonical SMILES for (3-amino-2-fluorophenyl)boronic acid;hydrochloride is Cl.Nc1cccc(B(O)O)c1F.
What is the InChIKey of (3-amino-2-fluorophenyl)boronic acid;hydrochloride?
The InChIKey is ZEXPCQCHTFSNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFNO2.ClH/c8-6-4(7(10)11)2-1-3-5(6)9;/h1-3,10-11H,9H2;1H.
What are the key properties of (3-amino-2-fluorophenyl)boronic acid;hydrochloride?
(3-amino-2-fluorophenyl)boronic acid;hydrochloride has a molecular weight of 191.40 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-fluorophenyl)boronic acid;hydrochloride is sourced from PubChem (CID 156808970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).