(NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine

C13H19FNO4P — CID 71483548

IUPAC(NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine
SMILESCC(C)OP(=O)(OC(C)C)/C(=N/O)c1ccc(F)cc1
InChIInChI=1S/C13H19FNO4P/c1-9(2)18-20(17,19-10(3)4)13(15-16)11-5-7-12(14)8-6-11/h5-10,16H,1-4H3/b15-13+
InChIKeyYDPUXQUCJZGIIL-FYWRMAATSA-N
MW303.27 g/mol
LogP4.00
Rot. Bonds6

About (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine

(NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine (PubChem CID 71483548) has the molecular formula C13H19FNO4P and a molecular weight of 303.27 g/mol. Its IUPAC name is (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine
PubChem CID71483548
Molecular FormulaC13H19FNO4P
Molecular Weight303.27 g/mol
Exact Mass303.10
IUPAC Name(NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine
SMILESCC(C)OP(=O)(OC(C)C)/C(=N/O)c1ccc(F)cc1
InChIInChI=1S/C13H19FNO4P/c1-9(2)18-20(17,19-10(3)4)13(15-16)11-5-7-12(14)8-6-11/h5-10,16H,1-4H3/b15-13+
InChIKeyYDPUXQUCJZGIIL-FYWRMAATSA-N
XLogP4.00
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine (CID 71483548) is (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine is CC(C)OP(=O)(OC(C)C)/C(=N/O)c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is YDPUXQUCJZGIIL-FYWRMAATSA-N. The full InChI is InChI=1S/C13H19FNO4P/c1-9(2)18-20(17,19-10(3)4)13(15-16)11-5-7-12(14)8-6-11/h5-10,16H,1-4H3/b15-13+.
What are the key properties of (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine?
(NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 303.27 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 71483548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).