2-(3-fluoropropylamino)benzaldehyde

C10H12FNO — CID 84657874

IUPAC2-(3-fluoropropylamino)benzaldehyde
SMILESO=Cc1ccccc1NCCCF
InChIInChI=1S/C10H12FNO/c11-6-3-7-12-10-5-2-1-4-9(10)8-13/h1-2,4-5,8,12H,3,6-7H2
InChIKeyLACPCJXYLKWORR-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.27
Rot. Bonds5

About 2-(3-fluoropropylamino)benzaldehyde

2-(3-fluoropropylamino)benzaldehyde (PubChem CID 84657874) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)benzaldehyde.

Molecular Properties

Compound Name2-(3-fluoropropylamino)benzaldehyde
PubChem CID84657874
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(3-fluoropropylamino)benzaldehyde
SMILESO=Cc1ccccc1NCCCF
InChIInChI=1S/C10H12FNO/c11-6-3-7-12-10-5-2-1-4-9(10)8-13/h1-2,4-5,8,12H,3,6-7H2
InChIKeyLACPCJXYLKWORR-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylamino)benzaldehyde?
The IUPAC name of 2-(3-fluoropropylamino)benzaldehyde (CID 84657874) is 2-(3-fluoropropylamino)benzaldehyde.
What is the SMILES notation for 2-(3-fluoropropylamino)benzaldehyde?
The canonical SMILES for 2-(3-fluoropropylamino)benzaldehyde is O=Cc1ccccc1NCCCF.
What is the InChIKey of 2-(3-fluoropropylamino)benzaldehyde?
The InChIKey is LACPCJXYLKWORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-6-3-7-12-10-5-2-1-4-9(10)8-13/h1-2,4-5,8,12H,3,6-7H2.
What are the key properties of 2-(3-fluoropropylamino)benzaldehyde?
2-(3-fluoropropylamino)benzaldehyde has a molecular weight of 181.21 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)benzaldehyde is sourced from PubChem (CID 84657874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).