[methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate

C11H13F3NO4P — CID 10267440

IUPAC[methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate
SMILESCO[P@](=O)(N[C@H](C)c1ccccc1)OC(=O)C(F)(F)F
InChIInChI=1S/C11H13F3NO4P/c1-8(9-6-4-3-5-7-9)15-20(17,18-2)19-10(16)11(12,13)14/h3-8H,1-2H3,(H,15,17)/t8-,20-/m1/s1
InChIKeyFKNRTZZPDQKPFF-ZPWHCFADSA-N
MW311.20 g/mol
LogP3.20
Rot. Bonds5

About [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate

[methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate (PubChem CID 10267440) has the molecular formula C11H13F3NO4P and a molecular weight of 311.20 g/mol. Its IUPAC name is [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate
PubChem CID10267440
Molecular FormulaC11H13F3NO4P
Molecular Weight311.20 g/mol
Exact Mass311.05
IUPAC Name[methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate
SMILESCO[P@](=O)(N[C@H](C)c1ccccc1)OC(=O)C(F)(F)F
InChIInChI=1S/C11H13F3NO4P/c1-8(9-6-4-3-5-7-9)15-20(17,18-2)19-10(16)11(12,13)14/h3-8H,1-2H3,(H,15,17)/t8-,20-/m1/s1
InChIKeyFKNRTZZPDQKPFF-ZPWHCFADSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
(E)-1,1,1-trifluoro-4-[[(1S)-1-phenylethyl]amino]but-3-en-2-one
CID 51387354
2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide
CID 11737708
(2-fluoro-1-phenylpropyl) 2,2,2-trifluoroacetate
CID 154716345
(2,2-diphenylacetyl) 2,2,2-trifluoroacetate
CID 90806086
N-dimethoxyphosphoryl-2-phenylpropan-1-amine
CID 118201062
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one
CID 125471813
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
[iodo(phenyl)methyl] 2,2,2-trifluoroacetate
CID 69442009
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656

Frequently Asked Questions

What is the IUPAC name of [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate?
The IUPAC name of [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate (CID 10267440) is [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate?
The canonical SMILES for [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate is CO[P@](=O)(N[C@H](C)c1ccccc1)OC(=O)C(F)(F)F.
What is the InChIKey of [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate?
The InChIKey is FKNRTZZPDQKPFF-ZPWHCFADSA-N. The full InChI is InChI=1S/C11H13F3NO4P/c1-8(9-6-4-3-5-7-9)15-20(17,18-2)19-10(16)11(12,13)14/h3-8H,1-2H3,(H,15,17)/t8-,20-/m1/s1.
What are the key properties of [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate?
[methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate has a molecular weight of 311.20 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-[[(1R)-1-phenylethyl]amino]phosphoryl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 10267440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).