(2S)-4-amino-2-fluorobutanal

C4H8FNO — CID 167029132

IUPAC(2S)-4-amino-2-fluorobutanal
SMILESNCC[C@H](F)C=O
InChIInChI=1S/C4H8FNO/c5-4(3-7)1-2-6/h3-4H,1-2,6H2/t4-/m0/s1
InChIKeyQHPOAPGHDKNIOY-BYPYZUCNSA-N
MW105.11 g/mol
LogP-0.13
Rot. Bonds3

About (2S)-4-amino-2-fluorobutanal

(2S)-4-amino-2-fluorobutanal (PubChem CID 167029132) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is (2S)-4-amino-2-fluorobutanal.

Molecular Properties

Compound Name(2S)-4-amino-2-fluorobutanal
PubChem CID167029132
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name(2S)-4-amino-2-fluorobutanal
SMILESNCC[C@H](F)C=O
InChIInChI=1S/C4H8FNO/c5-4(3-7)1-2-6/h3-4H,1-2,6H2/t4-/m0/s1
InChIKeyQHPOAPGHDKNIOY-BYPYZUCNSA-N
XLogP-0.13
TPSA43.09 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 ≤ 5-0.13
H-Bond Donors ≤ 51
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 (2S)-4-amino-2-fluorobutanal?
The IUPAC name of (2S)-4-amino-2-fluorobutanal (CID 167029132) is (2S)-4-amino-2-fluorobutanal.
What is the SMILES notation for (2S)-4-amino-2-fluorobutanal?
The canonical SMILES for (2S)-4-amino-2-fluorobutanal is NCC[C@H](F)C=O.
What is the InChIKey of (2S)-4-amino-2-fluorobutanal?
The InChIKey is QHPOAPGHDKNIOY-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8FNO/c5-4(3-7)1-2-6/h3-4H,1-2,6H2/t4-/m0/s1.
What are the key properties of (2S)-4-amino-2-fluorobutanal?
(2S)-4-amino-2-fluorobutanal has a molecular weight of 105.11 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-fluorobutanal is sourced from PubChem (CID 167029132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).