3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde

C11H14FNO2 — CID 62334479

IUPAC3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde
SMILESCC(O)CN(C)c1ccc(C=O)cc1F
InChIInChI=1S/C11H14FNO2/c1-8(15)6-13(2)11-4-3-9(7-14)5-10(11)12/h3-5,7-8,15H,6H2,1-2H3
InChIKeyUOPOEZATBRWUBR-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.46
Rot. Bonds4

About 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde

3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde (PubChem CID 62334479) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde
PubChem CID62334479
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde
SMILESCC(O)CN(C)c1ccc(C=O)cc1F
InChIInChI=1S/C11H14FNO2/c1-8(15)6-13(2)11-4-3-9(7-14)5-10(11)12/h3-5,7-8,15H,6H2,1-2H3
InChIKeyUOPOEZATBRWUBR-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.46
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 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde?
The IUPAC name of 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde (CID 62334479) is 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde is CC(O)CN(C)c1ccc(C=O)cc1F.
What is the InChIKey of 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde?
The InChIKey is UOPOEZATBRWUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(15)6-13(2)11-4-3-9(7-14)5-10(11)12/h3-5,7-8,15H,6H2,1-2H3.
What are the key properties of 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde?
3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde has a molecular weight of 211.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzaldehyde is sourced from PubChem (CID 62334479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).