2-(fluoromethylamino)acetaldehyde

C3H6FNO — CID 174927045

IUPAC2-(fluoromethylamino)acetaldehyde
SMILESO=CCNCF
InChIInChI=1S/C3H6FNO/c4-3-5-1-2-6/h2,5H,1,3H2
InChIKeyZGPTUAOBVOKLAY-UHFFFAOYSA-N
MW91.08 g/mol
LogP-0.30
Rot. Bonds3

About 2-(fluoromethylamino)acetaldehyde

2-(fluoromethylamino)acetaldehyde (PubChem CID 174927045) has the molecular formula C3H6FNO and a molecular weight of 91.08 g/mol. Its IUPAC name is 2-(fluoromethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(fluoromethylamino)acetaldehyde
PubChem CID174927045
Molecular FormulaC3H6FNO
Molecular Weight91.08 g/mol
Exact Mass91.04
IUPAC Name2-(fluoromethylamino)acetaldehyde
SMILESO=CCNCF
InChIInChI=1S/C3H6FNO/c4-3-5-1-2-6/h2,5H,1,3H2
InChIKeyZGPTUAOBVOKLAY-UHFFFAOYSA-N
XLogP-0.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.08
LogP ≤ 5-0.30
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(fluoromethylamino)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylamino)acetaldehyde?
The IUPAC name of 2-(fluoromethylamino)acetaldehyde (CID 174927045) is 2-(fluoromethylamino)acetaldehyde.
What is the SMILES notation for 2-(fluoromethylamino)acetaldehyde?
The canonical SMILES for 2-(fluoromethylamino)acetaldehyde is O=CCNCF.
What is the InChIKey of 2-(fluoromethylamino)acetaldehyde?
The InChIKey is ZGPTUAOBVOKLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO/c4-3-5-1-2-6/h2,5H,1,3H2.
What are the key properties of 2-(fluoromethylamino)acetaldehyde?
2-(fluoromethylamino)acetaldehyde has a molecular weight of 91.08 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylamino)acetaldehyde is sourced from PubChem (CID 174927045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).