4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde

C11H14FNO2 — CID 129313516

IUPAC4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde
SMILESCOC(c1ccc(C=O)cc1)C(N)CF
InChIInChI=1S/C11H14FNO2/c1-15-11(10(13)6-12)9-4-2-8(7-14)3-5-9/h2-5,7,10-11H,6,13H2,1H3
InChIKeyJNNXZFAVJYYAKU-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.48
Rot. Bonds5

About 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde

4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde (PubChem CID 129313516) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde
PubChem CID129313516
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde
SMILESCOC(c1ccc(C=O)cc1)C(N)CF
InChIInChI=1S/C11H14FNO2/c1-15-11(10(13)6-12)9-4-2-8(7-14)3-5-9/h2-5,7,10-11H,6,13H2,1H3
InChIKeyJNNXZFAVJYYAKU-UHFFFAOYSA-N
XLogP1.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde?
The IUPAC name of 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde (CID 129313516) is 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde.
What is the SMILES notation for 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde?
The canonical SMILES for 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde is COC(c1ccc(C=O)cc1)C(N)CF.
What is the InChIKey of 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde?
The InChIKey is JNNXZFAVJYYAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-11(10(13)6-12)9-4-2-8(7-14)3-5-9/h2-5,7,10-11H,6,13H2,1H3.
What are the key properties of 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde?
4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde has a molecular weight of 211.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-fluoro-1-methoxypropyl)benzaldehyde is sourced from PubChem (CID 129313516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).