2-(aminomethyl)-5-fluorobenzaldehyde

C8H8FNO — CID 117276016

IUPAC2-(aminomethyl)-5-fluorobenzaldehyde
SMILESNCc1ccc(F)cc1C=O
InChIInChI=1S/C8H8FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,5H,4,10H2
InChIKeyVVWCPLLLAUOISN-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.10
Rot. Bonds2

About 2-(aminomethyl)-5-fluorobenzaldehyde

2-(aminomethyl)-5-fluorobenzaldehyde (PubChem CID 117276016) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluorobenzaldehyde
PubChem CID117276016
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name2-(aminomethyl)-5-fluorobenzaldehyde
SMILESNCc1ccc(F)cc1C=O
InChIInChI=1S/C8H8FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,5H,4,10H2
InChIKeyVVWCPLLLAUOISN-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 2-(aminomethyl)-5-fluorobenzaldehyde?
The IUPAC name of 2-(aminomethyl)-5-fluorobenzaldehyde (CID 117276016) is 2-(aminomethyl)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(aminomethyl)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(aminomethyl)-5-fluorobenzaldehyde is NCc1ccc(F)cc1C=O.
What is the InChIKey of 2-(aminomethyl)-5-fluorobenzaldehyde?
The InChIKey is VVWCPLLLAUOISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,5H,4,10H2.
What are the key properties of 2-(aminomethyl)-5-fluorobenzaldehyde?
2-(aminomethyl)-5-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 2-(aminomethyl)-5-fluorobenzaldehyde is sourced from PubChem (CID 117276016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).