(2S)-2-(fluoroamino)-3-phenylpropanal

C9H10FNO — CID 18444076

IUPAC(2S)-2-(fluoroamino)-3-phenylpropanal
SMILESO=C[C@H](Cc1ccccc1)NF
InChIInChI=1S/C9H10FNO/c10-11-9(7-12)6-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m0/s1
InChIKeyYVYVUFRLHOKWSB-VIFPVBQESA-N
MW167.18 g/mol
LogP1.27
Rot. Bonds4

About (2S)-2-(fluoroamino)-3-phenylpropanal

(2S)-2-(fluoroamino)-3-phenylpropanal (PubChem CID 18444076) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (2S)-2-(fluoroamino)-3-phenylpropanal.

Molecular Properties

Compound Name(2S)-2-(fluoroamino)-3-phenylpropanal
PubChem CID18444076
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(2S)-2-(fluoroamino)-3-phenylpropanal
SMILESO=C[C@H](Cc1ccccc1)NF
InChIInChI=1S/C9H10FNO/c10-11-9(7-12)6-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m0/s1
InChIKeyYVYVUFRLHOKWSB-VIFPVBQESA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.27
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 (2S)-2-(fluoroamino)-3-phenylpropanal?
The IUPAC name of (2S)-2-(fluoroamino)-3-phenylpropanal (CID 18444076) is (2S)-2-(fluoroamino)-3-phenylpropanal.
What is the SMILES notation for (2S)-2-(fluoroamino)-3-phenylpropanal?
The canonical SMILES for (2S)-2-(fluoroamino)-3-phenylpropanal is O=C[C@H](Cc1ccccc1)NF.
What is the InChIKey of (2S)-2-(fluoroamino)-3-phenylpropanal?
The InChIKey is YVYVUFRLHOKWSB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10FNO/c10-11-9(7-12)6-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2/t9-/m0/s1.
What are the key properties of (2S)-2-(fluoroamino)-3-phenylpropanal?
(2S)-2-(fluoroamino)-3-phenylpropanal has a molecular weight of 167.18 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoroamino)-3-phenylpropanal is sourced from PubChem (CID 18444076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).