[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate

C10H12ClFNO5P — CID 20598686

IUPAC[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate
SMILESCON[C@@H](C)C(=O)OP(=O)(Cl)Oc1ccc(F)cc1
InChIInChI=1S/C10H12ClFNO5P/c1-7(13-16-2)10(14)18-19(11,15)17-9-5-3-8(12)4-6-9/h3-7,13H,1-2H3/t7-,19?/m0/s1
InChIKeyIEWZXIDCCUVTMY-AYRDOATGSA-N
MW311.63 g/mol
LogP2.63
Rot. Bonds6

About [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate

[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate (PubChem CID 20598686) has the molecular formula C10H12ClFNO5P and a molecular weight of 311.63 g/mol. Its IUPAC name is [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate.

Molecular Properties

Compound Name[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate
PubChem CID20598686
Molecular FormulaC10H12ClFNO5P
Molecular Weight311.63 g/mol
Exact Mass311.01
IUPAC Name[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate
SMILESCON[C@@H](C)C(=O)OP(=O)(Cl)Oc1ccc(F)cc1
InChIInChI=1S/C10H12ClFNO5P/c1-7(13-16-2)10(14)18-19(11,15)17-9-5-3-8(12)4-6-9/h3-7,13H,1-2H3/t7-,19?/m0/s1
InChIKeyIEWZXIDCCUVTMY-AYRDOATGSA-N
XLogP2.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(4-bromophenoxy)-hydroxyphosphoryl] (2S)-2-(methoxyamino)propanoate
CID 56617340
[chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-methylbutanoate
CID 20598722
phosphono (2S)-2-(methoxyamino)propanoate
CID 21349700
[chloro(phenoxy)phosphoryl] (2R)-2-(dodecylamino)propanoate
CID 91301189
(4-fluorophenyl) methyl hydrogen phosphate
CID 57282245
2-[[(4-fluorophenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoic acid
CID 174844841
[chloro-(4-fluorophenoxy)phosphoryl] 1-(phenylmethoxyamino)cyclopentane-1-carboxylate
CID 87294571
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
CID 5304101
methyl 1-[[chloro-(4-fluorophenoxy)phosphoryl]amino]cyclopentane-1-carboxylate
CID 58664077
(2S)-2-[[(4-bromophenoxy)-chlorophosphoryl]amino]-4-hydroxypentan-3-one
CID 89194973
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706

Frequently Asked Questions

What is the IUPAC name of [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate?
The IUPAC name of [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate (CID 20598686) is [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate.
What is the SMILES notation for [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate?
The canonical SMILES for [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate is CON[C@@H](C)C(=O)OP(=O)(Cl)Oc1ccc(F)cc1.
What is the InChIKey of [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate?
The InChIKey is IEWZXIDCCUVTMY-AYRDOATGSA-N. The full InChI is InChI=1S/C10H12ClFNO5P/c1-7(13-16-2)10(14)18-19(11,15)17-9-5-3-8(12)4-6-9/h3-7,13H,1-2H3/t7-,19?/m0/s1.
What are the key properties of [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate?
[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate has a molecular weight of 311.63 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate is sourced from PubChem (CID 20598686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).