3-fluoro-3-(methylamino)propanal

C4H8FNO — CID 152844685

IUPAC3-fluoro-3-(methylamino)propanal
SMILESCNC(F)CC=O
InChIInChI=1S/C4H8FNO/c1-6-4(5)2-3-7/h3-4,6H,2H2,1H3
InChIKeySZYUPUJEJAGLAW-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.09
Rot. Bonds3

About 3-fluoro-3-(methylamino)propanal

3-fluoro-3-(methylamino)propanal (PubChem CID 152844685) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 3-fluoro-3-(methylamino)propanal.

Molecular Properties

Compound Name3-fluoro-3-(methylamino)propanal
PubChem CID152844685
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name3-fluoro-3-(methylamino)propanal
SMILESCNC(F)CC=O
InChIInChI=1S/C4H8FNO/c1-6-4(5)2-3-7/h3-4,6H,2H2,1H3
InChIKeySZYUPUJEJAGLAW-UHFFFAOYSA-N
XLogP0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methylamino)propanal?
The IUPAC name of 3-fluoro-3-(methylamino)propanal (CID 152844685) is 3-fluoro-3-(methylamino)propanal.
What is the SMILES notation for 3-fluoro-3-(methylamino)propanal?
The canonical SMILES for 3-fluoro-3-(methylamino)propanal is CNC(F)CC=O.
What is the InChIKey of 3-fluoro-3-(methylamino)propanal?
The InChIKey is SZYUPUJEJAGLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-6-4(5)2-3-7/h3-4,6H,2H2,1H3.
What are the key properties of 3-fluoro-3-(methylamino)propanal?
3-fluoro-3-(methylamino)propanal has a molecular weight of 105.11 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methylamino)propanal is sourced from PubChem (CID 152844685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).