3-(fluoroamino)-2-methylpropanal

C4H8FNO — CID 118606255

IUPAC3-(fluoroamino)-2-methylpropanal
SMILESCC(C=O)CNF
InChIInChI=1S/C4H8FNO/c1-4(3-7)2-6-5/h3-4,6H,2H2,1H3
InChIKeyVDKASBAYWJZEMH-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.30
Rot. Bonds3

About 3-(fluoroamino)-2-methylpropanal

3-(fluoroamino)-2-methylpropanal (PubChem CID 118606255) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 3-(fluoroamino)-2-methylpropanal.

Molecular Properties

Compound Name3-(fluoroamino)-2-methylpropanal
PubChem CID118606255
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name3-(fluoroamino)-2-methylpropanal
SMILESCC(C=O)CNF
InChIInChI=1S/C4H8FNO/c1-4(3-7)2-6-5/h3-4,6H,2H2,1H3
InChIKeyVDKASBAYWJZEMH-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoroamino)-2-methylpropanal?
The IUPAC name of 3-(fluoroamino)-2-methylpropanal (CID 118606255) is 3-(fluoroamino)-2-methylpropanal.
What is the SMILES notation for 3-(fluoroamino)-2-methylpropanal?
The canonical SMILES for 3-(fluoroamino)-2-methylpropanal is CC(C=O)CNF.
What is the InChIKey of 3-(fluoroamino)-2-methylpropanal?
The InChIKey is VDKASBAYWJZEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-4(3-7)2-6-5/h3-4,6H,2H2,1H3.
What are the key properties of 3-(fluoroamino)-2-methylpropanal?
3-(fluoroamino)-2-methylpropanal has a molecular weight of 105.11 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 3-(fluoroamino)-2-methylpropanal is sourced from PubChem (CID 118606255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).