4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde

C10H10FNO — CID 169463462

IUPAC4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde
SMILESNCC=Cc1ccc(C=O)cc1F
InChIInChI=1S/C10H10FNO/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h1-4,6-7H,5,12H2
InChIKeyKOHOFEDXAJULRS-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.61
Rot. Bonds3

About 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde

4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde (PubChem CID 169463462) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde
PubChem CID169463462
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde
SMILESNCC=Cc1ccc(C=O)cc1F
InChIInChI=1S/C10H10FNO/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h1-4,6-7H,5,12H2
InChIKeyKOHOFEDXAJULRS-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.61
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 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde (CID 169463462) is 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde is NCC=Cc1ccc(C=O)cc1F.
What is the InChIKey of 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde?
The InChIKey is KOHOFEDXAJULRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-10-6-8(7-13)3-4-9(10)2-1-5-12/h1-4,6-7H,5,12H2.
What are the key properties of 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde?
4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde has a molecular weight of 179.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-enyl)-3-fluorobenzaldehyde is sourced from PubChem (CID 169463462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).