(NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine

C10H11F2NO2 — CID 59114381

IUPAC(NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine
SMILESCO[C@@H](C)/C(=N/O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO2/c1-6(15-2)10(13-14)7-3-4-8(11)9(12)5-7/h3-6,14H,1-2H3/b13-10-/t6-/m0/s1
InChIKeyRKKWZJBTYNOTMW-GYBUZWCQSA-N
MW215.20 g/mol
LogP2.18
Rot. Bonds3

About (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine

(NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine (PubChem CID 59114381) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine
PubChem CID59114381
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine
SMILESCO[C@@H](C)/C(=N/O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO2/c1-6(15-2)10(13-14)7-3-4-8(11)9(12)5-7/h3-6,14H,1-2H3/b13-10-/t6-/m0/s1
InChIKeyRKKWZJBTYNOTMW-GYBUZWCQSA-N
XLogP2.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.18
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-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine (CID 59114381) is (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine is CO[C@@H](C)/C(=N/O)c1ccc(F)c(F)c1.
What is the InChIKey of (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine?
The InChIKey is RKKWZJBTYNOTMW-GYBUZWCQSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6(15-2)10(13-14)7-3-4-8(11)9(12)5-7/h3-6,14H,1-2H3/b13-10-/t6-/m0/s1.
What are the key properties of (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine?
(NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine has a molecular weight of 215.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-1-(3,4-difluorophenyl)-2-methoxypropylidene]hydroxylamine is sourced from PubChem (CID 59114381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).