4-[2-fluoroethyl(methyl)amino]benzaldehyde

C10H12FNO — CID 58767075

IUPAC4-[2-fluoroethyl(methyl)amino]benzaldehyde
SMILESCN(CCF)c1ccc(C=O)cc1
InChIInChI=1S/C10H12FNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyUUFRMOGIYWGIFR-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.90
Rot. Bonds4

About 4-[2-fluoroethyl(methyl)amino]benzaldehyde

4-[2-fluoroethyl(methyl)amino]benzaldehyde (PubChem CID 58767075) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-[2-fluoroethyl(methyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[2-fluoroethyl(methyl)amino]benzaldehyde
PubChem CID58767075
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-[2-fluoroethyl(methyl)amino]benzaldehyde
SMILESCN(CCF)c1ccc(C=O)cc1
InChIInChI=1S/C10H12FNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyUUFRMOGIYWGIFR-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoroethyl(methyl)amino]benzaldehyde?
The IUPAC name of 4-[2-fluoroethyl(methyl)amino]benzaldehyde (CID 58767075) is 4-[2-fluoroethyl(methyl)amino]benzaldehyde.
What is the SMILES notation for 4-[2-fluoroethyl(methyl)amino]benzaldehyde?
The canonical SMILES for 4-[2-fluoroethyl(methyl)amino]benzaldehyde is CN(CCF)c1ccc(C=O)cc1.
What is the InChIKey of 4-[2-fluoroethyl(methyl)amino]benzaldehyde?
The InChIKey is UUFRMOGIYWGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-[2-fluoroethyl(methyl)amino]benzaldehyde?
4-[2-fluoroethyl(methyl)amino]benzaldehyde has a molecular weight of 181.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoroethyl(methyl)amino]benzaldehyde is sourced from PubChem (CID 58767075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).