3-(aminomethyl)-4-fluorobenzaldehyde

C8H8FNO — CID 45083772

IUPAC3-(aminomethyl)-4-fluorobenzaldehyde
SMILESNCc1cc(C=O)ccc1F
InChIInChI=1S/C8H8FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H,4,10H2
InChIKeyIAPKPUUYDQVHSZ-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.10
Rot. Bonds2

About 3-(aminomethyl)-4-fluorobenzaldehyde

3-(aminomethyl)-4-fluorobenzaldehyde (PubChem CID 45083772) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluorobenzaldehyde
PubChem CID45083772
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name3-(aminomethyl)-4-fluorobenzaldehyde
SMILESNCc1cc(C=O)ccc1F
InChIInChI=1S/C8H8FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H,4,10H2
InChIKeyIAPKPUUYDQVHSZ-UHFFFAOYSA-N
XLogP1.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluorobenzaldehyde?
The IUPAC name of 3-(aminomethyl)-4-fluorobenzaldehyde (CID 45083772) is 3-(aminomethyl)-4-fluorobenzaldehyde.
What is the SMILES notation for 3-(aminomethyl)-4-fluorobenzaldehyde?
The canonical SMILES for 3-(aminomethyl)-4-fluorobenzaldehyde is NCc1cc(C=O)ccc1F.
What is the InChIKey of 3-(aminomethyl)-4-fluorobenzaldehyde?
The InChIKey is IAPKPUUYDQVHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H,4,10H2.
What are the key properties of 3-(aminomethyl)-4-fluorobenzaldehyde?
3-(aminomethyl)-4-fluorobenzaldehyde has a molecular weight of 153.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluorobenzaldehyde is sourced from PubChem (CID 45083772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).