2-(18F)fluoro(18F)aniline;hydrochloride

C6H7ClFN — CID 11423671

IUPAC2-(18F)fluoro(18F)aniline;hydrochloride
SMILESCl.Nc1ccccc1[18F]
InChIInChI=1S/C6H6FN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H/i7-1;
InChIKeyHDBRUGFOHGDYRJ-VPDICMMDSA-N
MW146.58 g/mol
LogP1.83
Rot. Bonds

About 2-(18F)fluoro(18F)aniline;hydrochloride

2-(18F)fluoro(18F)aniline;hydrochloride (PubChem CID 11423671) has the molecular formula C6H7ClFN and a molecular weight of 146.58 g/mol. Its IUPAC name is 2-(18F)fluoro(18F)aniline;hydrochloride.

Molecular Properties

Compound Name2-(18F)fluoro(18F)aniline;hydrochloride
PubChem CID11423671
Molecular FormulaC6H7ClFN
Molecular Weight146.58 g/mol
Exact Mass146.03
IUPAC Name2-(18F)fluoro(18F)aniline;hydrochloride
SMILESCl.Nc1ccccc1[18F]
InChIInChI=1S/C6H6FN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H/i7-1;
InChIKeyHDBRUGFOHGDYRJ-VPDICMMDSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(18F)fluoro(18F)aniline;hydrochloride?
The IUPAC name of 2-(18F)fluoro(18F)aniline;hydrochloride (CID 11423671) is 2-(18F)fluoro(18F)aniline;hydrochloride.
What is the SMILES notation for 2-(18F)fluoro(18F)aniline;hydrochloride?
The canonical SMILES for 2-(18F)fluoro(18F)aniline;hydrochloride is Cl.Nc1ccccc1[18F].
What is the InChIKey of 2-(18F)fluoro(18F)aniline;hydrochloride?
The InChIKey is HDBRUGFOHGDYRJ-VPDICMMDSA-N. The full InChI is InChI=1S/C6H6FN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H/i7-1;.
What are the key properties of 2-(18F)fluoro(18F)aniline;hydrochloride?
2-(18F)fluoro(18F)aniline;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(18F)fluoro(18F)aniline;hydrochloride is sourced from PubChem (CID 11423671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).