(NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine

C16H15F2NO2 — CID 15038958

IUPAC(NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine
SMILESO/N=C/[C@@H](OCc1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C16H15F2NO2/c17-16(18,14-9-5-2-6-10-14)15(11-19-20)21-12-13-7-3-1-4-8-13/h1-11,15,20H,12H2/b19-11+/t15-/m1/s1
InChIKeyYSCJAHGUQBDKFN-SKCQWOFPSA-N
MW291.30 g/mol
LogP3.82
Rot. Bonds6

About (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine

(NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine (PubChem CID 15038958) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine
PubChem CID15038958
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine
SMILESO/N=C/[C@@H](OCc1ccccc1)C(F)(F)c1ccccc1
InChIInChI=1S/C16H15F2NO2/c17-16(18,14-9-5-2-6-10-14)15(11-19-20)21-12-13-7-3-1-4-8-13/h1-11,15,20H,12H2/b19-11+/t15-/m1/s1
InChIKeyYSCJAHGUQBDKFN-SKCQWOFPSA-N
XLogP3.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine (CID 15038958) is (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine is O/N=C/[C@@H](OCc1ccccc1)C(F)(F)c1ccccc1.
What is the InChIKey of (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine?
The InChIKey is YSCJAHGUQBDKFN-SKCQWOFPSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-16(18,14-9-5-2-6-10-14)15(11-19-20)21-12-13-7-3-1-4-8-13/h1-11,15,20H,12H2/b19-11+/t15-/m1/s1.
What are the key properties of (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine?
(NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine has a molecular weight of 291.30 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]hydroxylamine is sourced from PubChem (CID 15038958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).