4-Fluorobenzylamine

C7H8FN — CID 67326

IUPAC(4-fluorophenyl)methanamine
SMILESC1=CC(=CC=C1CN)F
InChIInChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKeyIIFVWLUQBAIPMJ-UHFFFAOYSA-N
MW125.14 g/mol
LogP1.10
Rot. Bonds1

About 4-Fluorobenzylamine

4-Fluorobenzylamine (PubChem CID 67326) has the molecular formula C7H8FN and a molecular weight of 125.14 g/mol. Its IUPAC name is (4-fluorophenyl)methanamine.

Molecular Properties

Compound Name4-Fluorobenzylamine
PubChem CID67326
Molecular FormulaC7H8FN
Molecular Weight125.14 g/mol
Exact Mass125.06
IUPAC Name(4-fluorophenyl)methanamine
SMILESC1=CC(=CC=C1CN)F
InChIInChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKeyIIFVWLUQBAIPMJ-UHFFFAOYSA-N
XLogP1.10
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity77

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-Fluorobenzylamine?
The IUPAC name of 4-Fluorobenzylamine (CID 67326) is (4-fluorophenyl)methanamine.
What is the SMILES notation for 4-Fluorobenzylamine?
The canonical SMILES for 4-Fluorobenzylamine is C1=CC(=CC=C1CN)F.
What is the InChIKey of 4-Fluorobenzylamine?
The InChIKey is IIFVWLUQBAIPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2.
What are the key properties of 4-Fluorobenzylamine?
4-Fluorobenzylamine has a molecular weight of 125.14 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Fluorobenzylamine is sourced from PubChem (CID 67326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).