(4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium

C16H16FNO4P+ — CID 130335242

IUPAC(4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium
SMILESC[C@H](N[P+](=O)Oc1ccc(F)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H16FNO4P/c1-12(16(19)21-11-13-5-3-2-4-6-13)18-23(20)22-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,20)/q+1/t12-/m0/s1
InChIKeyXVYXJZNCCAJVHT-LBPRGKRZSA-N
MW336.28 g/mol
LogP3.58
Rot. Bonds7

About (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium

(4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium (PubChem CID 130335242) has the molecular formula C16H16FNO4P+ and a molecular weight of 336.28 g/mol. Its IUPAC name is (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium.

Molecular Properties

Compound Name(4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium
PubChem CID130335242
Molecular FormulaC16H16FNO4P+
Molecular Weight336.28 g/mol
Exact Mass336.08
IUPAC Name(4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium
SMILESC[C@H](N[P+](=O)Oc1ccc(F)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H16FNO4P/c1-12(16(19)21-11-13-5-3-2-4-6-13)18-23(20)22-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,20)/q+1/t12-/m0/s1
InChIKeyXVYXJZNCCAJVHT-LBPRGKRZSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium?
The IUPAC name of (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium (CID 130335242) is (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium.
What is the SMILES notation for (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium?
The canonical SMILES for (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium is C[C@H](N[P+](=O)Oc1ccc(F)cc1)C(=O)OCc1ccccc1.
What is the InChIKey of (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium?
The InChIKey is XVYXJZNCCAJVHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FNO4P/c1-12(16(19)21-11-13-5-3-2-4-6-13)18-23(20)22-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,20)/q+1/t12-/m0/s1.
What are the key properties of (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium?
(4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium has a molecular weight of 336.28 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenoxy)-oxo-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphanium is sourced from PubChem (CID 130335242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).