4-(aminomethyl)-3-fluorophenol;hydrochloride

C7H9ClFNO — CID 22058439

IUPAC4-(aminomethyl)-3-fluorophenol;hydrochloride
SMILESCl.NCc1ccc(O)cc1F
InChIInChI=1S/C7H8FNO.ClH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3,10H,4,9H2;1H
InChIKeyVOAPUAMRXFQFDI-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.41
Rot. Bonds1

About 4-(aminomethyl)-3-fluorophenol;hydrochloride

4-(aminomethyl)-3-fluorophenol;hydrochloride (PubChem CID 22058439) has the molecular formula C7H9ClFNO and a molecular weight of 177.61 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluorophenol;hydrochloride
PubChem CID22058439
Molecular FormulaC7H9ClFNO
Molecular Weight177.61 g/mol
Exact Mass177.04
IUPAC Name4-(aminomethyl)-3-fluorophenol;hydrochloride
SMILESCl.NCc1ccc(O)cc1F
InChIInChI=1S/C7H8FNO.ClH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3,10H,4,9H2;1H
InChIKeyVOAPUAMRXFQFDI-UHFFFAOYSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluorophenol;hydrochloride?
The IUPAC name of 4-(aminomethyl)-3-fluorophenol;hydrochloride (CID 22058439) is 4-(aminomethyl)-3-fluorophenol;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-3-fluorophenol;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-3-fluorophenol;hydrochloride is Cl.NCc1ccc(O)cc1F.
What is the InChIKey of 4-(aminomethyl)-3-fluorophenol;hydrochloride?
The InChIKey is VOAPUAMRXFQFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO.ClH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3,10H,4,9H2;1H.
What are the key properties of 4-(aminomethyl)-3-fluorophenol;hydrochloride?
4-(aminomethyl)-3-fluorophenol;hydrochloride has a molecular weight of 177.61 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluorophenol;hydrochloride is sourced from PubChem (CID 22058439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).