(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine

C11H13F2NO3 — CID 82001759

IUPAC(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OCC(F)F)c1
InChIInChI=1S/C11H13F2NO3/c1-7(14-15)9-4-3-8(16-2)5-10(9)17-6-11(12)13/h3-5,11,15H,6H2,1-2H3/b14-7+
InChIKeyNHPMEUKOYDCKQA-VGOFMYFVSA-N
MW245.22 g/mol
LogP2.54
Rot. Bonds5

About (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine

(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine (PubChem CID 82001759) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
PubChem CID82001759
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OCC(F)F)c1
InChIInChI=1S/C11H13F2NO3/c1-7(14-15)9-4-3-8(16-2)5-10(9)17-6-11(12)13/h3-5,11,15H,6H2,1-2H3/b14-7+
InChIKeyNHPMEUKOYDCKQA-VGOFMYFVSA-N
XLogP2.54
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 82001926
(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
CID 60922167
(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine
CID 82001380
(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82003192
5-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]pentan-1-ol
CID 82001458
3-[[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]methyl]pentan-3-ol
CID 114494193
(NE)-N-[1-[4-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002244
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
5-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]-2,2-dimethylpentanenitrile
CID 82002620

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine (CID 82001759) is (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine is COc1ccc(/C(C)=N/O)c(OCC(F)F)c1.
What is the InChIKey of (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine?
The InChIKey is NHPMEUKOYDCKQA-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-7(14-15)9-4-3-8(16-2)5-10(9)17-6-11(12)13/h3-5,11,15H,6H2,1-2H3/b14-7+.
What are the key properties of (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine has a molecular weight of 245.22 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 82001759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).