(2S)-2-amino-3-(3-fluorophenyl)propanal

C9H10FNO — CID 18340915

IUPAC(2S)-2-amino-3-(3-fluorophenyl)propanal
SMILESN[C@H](C=O)Cc1cccc(F)c1
InChIInChI=1S/C9H10FNO/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,6,9H,5,11H2/t9-/m0/s1
InChIKeyLZHVCTRYTSNATD-VIFPVBQESA-N
MW167.18 g/mol
LogP0.89
Rot. Bonds3

About (2S)-2-amino-3-(3-fluorophenyl)propanal

(2S)-2-amino-3-(3-fluorophenyl)propanal (PubChem CID 18340915) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-fluorophenyl)propanal.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-fluorophenyl)propanal
PubChem CID18340915
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(2S)-2-amino-3-(3-fluorophenyl)propanal
SMILESN[C@H](C=O)Cc1cccc(F)c1
InChIInChI=1S/C9H10FNO/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,6,9H,5,11H2/t9-/m0/s1
InChIKeyLZHVCTRYTSNATD-VIFPVBQESA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 50.89
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)-2-amino-3-(3-fluorophenyl)propanal?
The IUPAC name of (2S)-2-amino-3-(3-fluorophenyl)propanal (CID 18340915) is (2S)-2-amino-3-(3-fluorophenyl)propanal.
What is the SMILES notation for (2S)-2-amino-3-(3-fluorophenyl)propanal?
The canonical SMILES for (2S)-2-amino-3-(3-fluorophenyl)propanal is N[C@H](C=O)Cc1cccc(F)c1.
What is the InChIKey of (2S)-2-amino-3-(3-fluorophenyl)propanal?
The InChIKey is LZHVCTRYTSNATD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,6,9H,5,11H2/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-fluorophenyl)propanal?
(2S)-2-amino-3-(3-fluorophenyl)propanal has a molecular weight of 167.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-fluorophenyl)propanal is sourced from PubChem (CID 18340915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).