3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde

C11H12FNO — CID 106529351

IUPAC3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde
SMILESC=CCN(C)c1cc(F)cc(C=O)c1
InChIInChI=1S/C11H12FNO/c1-3-4-13(2)11-6-9(8-14)5-10(12)7-11/h3,5-8H,1,4H2,2H3
InChIKeyHVSSZZLKRCQETM-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.26
Rot. Bonds4

About 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde

3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde (PubChem CID 106529351) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde
PubChem CID106529351
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde
SMILESC=CCN(C)c1cc(F)cc(C=O)c1
InChIInChI=1S/C11H12FNO/c1-3-4-13(2)11-6-9(8-14)5-10(12)7-11/h3,5-8H,1,4H2,2H3
InChIKeyHVSSZZLKRCQETM-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde?
The IUPAC name of 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde (CID 106529351) is 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde.
What is the SMILES notation for 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde?
The canonical SMILES for 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde is C=CCN(C)c1cc(F)cc(C=O)c1.
What is the InChIKey of 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde?
The InChIKey is HVSSZZLKRCQETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-3-4-13(2)11-6-9(8-14)5-10(12)7-11/h3,5-8H,1,4H2,2H3.
What are the key properties of 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde?
3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde has a molecular weight of 193.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde is sourced from PubChem (CID 106529351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).