3-amino-2-fluorobenzaldehyde

C7H6FNO — CID 55282197

IUPAC3-amino-2-fluorobenzaldehyde
SMILESNc1cccc(C=O)c1F
InChIInChI=1S/C7H6FNO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H,9H2
InChIKeyIQICCYBHVPARCV-UHFFFAOYSA-N
MW139.13 g/mol
LogP1.22
Rot. Bonds1

About 3-amino-2-fluorobenzaldehyde

3-amino-2-fluorobenzaldehyde (PubChem CID 55282197) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is 3-amino-2-fluorobenzaldehyde.

Molecular Properties

Compound Name3-amino-2-fluorobenzaldehyde
PubChem CID55282197
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name3-amino-2-fluorobenzaldehyde
SMILESNc1cccc(C=O)c1F
InChIInChI=1S/C7H6FNO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H,9H2
InChIKeyIQICCYBHVPARCV-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluorobenzaldehyde?
The IUPAC name of 3-amino-2-fluorobenzaldehyde (CID 55282197) is 3-amino-2-fluorobenzaldehyde.
What is the SMILES notation for 3-amino-2-fluorobenzaldehyde?
The canonical SMILES for 3-amino-2-fluorobenzaldehyde is Nc1cccc(C=O)c1F.
What is the InChIKey of 3-amino-2-fluorobenzaldehyde?
The InChIKey is IQICCYBHVPARCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H,9H2.
What are the key properties of 3-amino-2-fluorobenzaldehyde?
3-amino-2-fluorobenzaldehyde has a molecular weight of 139.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluorobenzaldehyde is sourced from PubChem (CID 55282197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).