2-(2-fluoroethylamino)acetaldehyde

C4H8FNO — CID 91464821

IUPAC2-(2-fluoroethylamino)acetaldehyde
SMILESO=CCNCCF
InChIInChI=1S/C4H8FNO/c5-1-2-6-3-4-7/h4,6H,1-3H2
InChIKeyRCJYOZWBXCYVAE-UHFFFAOYSA-N
MW105.11 g/mol
LogP-0.26
Rot. Bonds4

About 2-(2-fluoroethylamino)acetaldehyde

2-(2-fluoroethylamino)acetaldehyde (PubChem CID 91464821) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(2-fluoroethylamino)acetaldehyde
PubChem CID91464821
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name2-(2-fluoroethylamino)acetaldehyde
SMILESO=CCNCCF
InChIInChI=1S/C4H8FNO/c5-1-2-6-3-4-7/h4,6H,1-3H2
InChIKeyRCJYOZWBXCYVAE-UHFFFAOYSA-N
XLogP-0.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)acetaldehyde?
The IUPAC name of 2-(2-fluoroethylamino)acetaldehyde (CID 91464821) is 2-(2-fluoroethylamino)acetaldehyde.
What is the SMILES notation for 2-(2-fluoroethylamino)acetaldehyde?
The canonical SMILES for 2-(2-fluoroethylamino)acetaldehyde is O=CCNCCF.
What is the InChIKey of 2-(2-fluoroethylamino)acetaldehyde?
The InChIKey is RCJYOZWBXCYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c5-1-2-6-3-4-7/h4,6H,1-3H2.
What are the key properties of 2-(2-fluoroethylamino)acetaldehyde?
2-(2-fluoroethylamino)acetaldehyde has a molecular weight of 105.11 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)acetaldehyde is sourced from PubChem (CID 91464821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).