2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal

C18H19F2NO2 — CID 146634424

IUPAC2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal
SMILESC[C@H](OCC(N)C=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F2NO2/c1-12(23-11-17(21)10-22)18(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-10,12,17-18H,11,21H2,1H3/t12-,17?/m0/s1
InChIKeyFPHGHCBSOFVBNU-WHUIICBVSA-N
MW319.35 g/mol
LogP3.03
Rot. Bonds7

About 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal

2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal (PubChem CID 146634424) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal.

Molecular Properties

Compound Name2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal
PubChem CID146634424
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal
SMILESC[C@H](OCC(N)C=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F2NO2/c1-12(23-11-17(21)10-22)18(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-10,12,17-18H,11,21H2,1H3/t12-,17?/m0/s1
InChIKeyFPHGHCBSOFVBNU-WHUIICBVSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal?
The IUPAC name of 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal (CID 146634424) is 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal.
What is the SMILES notation for 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal?
The canonical SMILES for 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal is C[C@H](OCC(N)C=O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal?
The InChIKey is FPHGHCBSOFVBNU-WHUIICBVSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-12(23-11-17(21)10-22)18(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-10,12,17-18H,11,21H2,1H3/t12-,17?/m0/s1.
What are the key properties of 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal?
2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal has a molecular weight of 319.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl]oxypropanal is sourced from PubChem (CID 146634424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).