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

C10H11F2NO2 — CID 60922167

IUPAC(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1OCC(F)F
InChIInChI=1S/C10H11F2NO2/c1-7(13-14)8-4-2-3-5-9(8)15-6-10(11)12/h2-5,10,14H,6H2,1H3/b13-7+
InChIKeyXAHBBCYSQMZXKB-NTUHNPAUSA-N
MW215.20 g/mol
LogP2.53
Rot. Bonds4

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

(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 60922167) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID60922167
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1OCC(F)F
InChIInChI=1S/C10H11F2NO2/c1-7(13-14)8-4-2-3-5-9(8)15-6-10(11)12/h2-5,10,14H,6H2,1H3/b13-7+
InChIKeyXAHBBCYSQMZXKB-NTUHNPAUSA-N
XLogP2.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.53
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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Related Compounds

1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol
CID 60885810
(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82001759
N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79221819
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638
N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
CID 76999545
(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
CID 43129538
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
(NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 109374404
2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone
CID 99769831
(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 43106090
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
(NZ)-N-[1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 112650504

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine (CID 60922167) is (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccccc1OCC(F)F.
What is the InChIKey of (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is XAHBBCYSQMZXKB-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-7(13-14)8-4-2-3-5-9(8)15-6-10(11)12/h2-5,10,14H,6H2,1H3/b13-7+.
What are the key properties of (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 215.20 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 60922167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).