3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde

C12H14FNO — CID 106529352

IUPAC3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde
SMILESC=CCN(CC)c1cc(F)cc(C=O)c1
InChIInChI=1S/C12H14FNO/c1-3-5-14(4-2)12-7-10(9-15)6-11(13)8-12/h3,6-9H,1,4-5H2,2H3
InChIKeyVZMGHTUXLDBJNK-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.65
Rot. Bonds5

About 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde

3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde (PubChem CID 106529352) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde
PubChem CID106529352
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde
SMILESC=CCN(CC)c1cc(F)cc(C=O)c1
InChIInChI=1S/C12H14FNO/c1-3-5-14(4-2)12-7-10(9-15)6-11(13)8-12/h3,6-9H,1,4-5H2,2H3
InChIKeyVZMGHTUXLDBJNK-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.65
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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Related Compounds

3-[tert-butyl(prop-2-enyl)amino]-5-fluorobenzaldehyde
CID 106529356
3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde
CID 106529351
3-[ethyl(prop-2-ynyl)amino]-5-fluorobenzaldehyde
CID 106529349
3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde
CID 106529426
3-[cyclopropyl(prop-2-enyl)amino]-5-fluorobenzaldehyde
CID 106529355
2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide
CID 106529174
3-[2,2-dimethylpropyl(methyl)amino]-5-fluorobenzaldehyde
CID 106529213
3-fluoro-5-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 106529192
3-fluoro-5-[methyl(2-methylsulfanylethyl)amino]benzaldehyde
CID 106529372
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633
3-[benzyl(2-hydroxyethyl)amino]-5-fluorobenzaldehyde
CID 106529226
4-[methyl(prop-2-enyl)amino]benzaldehyde
CID 71347762

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde?
The IUPAC name of 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde (CID 106529352) is 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde.
What is the SMILES notation for 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde?
The canonical SMILES for 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde is C=CCN(CC)c1cc(F)cc(C=O)c1.
What is the InChIKey of 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde?
The InChIKey is VZMGHTUXLDBJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-5-14(4-2)12-7-10(9-15)6-11(13)8-12/h3,6-9H,1,4-5H2,2H3.
What are the key properties of 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde?
3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde is sourced from PubChem (CID 106529352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).