(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine

C9H9F2NO2 — CID 50896716

IUPAC(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCC(F)F)cc1
InChIInChI=1S/C9H9F2NO2/c10-9(11)6-14-8-3-1-7(2-4-8)5-12-13/h1-5,9,13H,6H2/b12-5+
InChIKeyLXDPMBJVLKKZER-LFYBBSHMSA-N
MW201.17 g/mol
LogP2.14
Rot. Bonds4

About (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine

(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 50896716) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
PubChem CID50896716
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCC(F)F)cc1
InChIInChI=1S/C9H9F2NO2/c10-9(11)6-14-8-3-1-7(2-4-8)5-12-13/h1-5,9,13H,6H2/b12-5+
InChIKeyLXDPMBJVLKKZER-LFYBBSHMSA-N
XLogP2.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.14
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

(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
CID 95732521
(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine
CID 14425923
N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6163671
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine
CID 97356315
(NE)-N-[[4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42303354
1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
CID 60921505
N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20986071
N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
CID 20987314
(NE)-N-[(4-trimethylsilyloxyphenyl)methylidene]hydroxylamine
CID 11148487
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
CID 156627016

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine (CID 50896716) is (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine is O/N=C/c1ccc(OCC(F)F)cc1.
What is the InChIKey of (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is LXDPMBJVLKKZER-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11)6-14-8-3-1-7(2-4-8)5-12-13/h1-5,9,13H,6H2/b12-5+.
What are the key properties of (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 201.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(2,2-difluoroethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 50896716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).