N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine

C11H13F2N2O3- — CID 163975600

IUPACN-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine
SMILESCN(C)/C=C/c1c(OC(F)F)cccc1N([O-])O
InChIInChI=1S/C11H13F2N2O3/c1-14(2)7-6-8-9(15(16)17)4-3-5-10(8)18-11(12)13/h3-7,11,16H,1-2H3/q-1/b7-6+
InChIKeyRIIFJFDMQWQCAS-VOTSOKGWSA-N
MW259.23 g/mol
LogP2.51
Rot. Bonds5

About N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine

N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine (PubChem CID 163975600) has the molecular formula C11H13F2N2O3- and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine
PubChem CID163975600
Molecular FormulaC11H13F2N2O3-
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC NameN-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine
SMILESCN(C)/C=C/c1c(OC(F)F)cccc1N([O-])O
InChIInChI=1S/C11H13F2N2O3/c1-14(2)7-6-8-9(15(16)17)4-3-5-10(8)18-11(12)13/h3-7,11,16H,1-2H3/q-1/b7-6+
InChIKeyRIIFJFDMQWQCAS-VOTSOKGWSA-N
XLogP2.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine
CID 88921202
2-(1-chloro-2-oxopropyl)-6-(difluoromethoxy)benzaldehyde
CID 170837646
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
2-(difluoromethoxy)-6-[methyl(sulfanyl)amino]benzonitrile
CID 151235393
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
2-bromo-6-(difluoromethoxy)benzaldehyde
CID 118141947
3-[2-(1-chloro-2-oxopropyl)-6-(difluoromethoxy)phenyl]prop-2-enoic acid
CID 170837641
S-[3-[2-(difluoromethoxy)-6-fluorophenyl]prop-2-enyl] ethanethioate
CID 169457768
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
[2-(difluoromethoxy)phenyl]methylidene-hydroxy-methyl-oxo-λ6-sulfane
CID 91805708
(E)-3-[2-(difluoromethoxy)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylprop-2-enamide
CID 51327302
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine (CID 163975600) is N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine is CN(C)/C=C/c1c(OC(F)F)cccc1N([O-])O.
What is the InChIKey of N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine?
The InChIKey is RIIFJFDMQWQCAS-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13F2N2O3/c1-14(2)7-6-8-9(15(16)17)4-3-5-10(8)18-11(12)13/h3-7,11,16H,1-2H3/q-1/b7-6+.
What are the key properties of N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine?
N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine has a molecular weight of 259.23 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163975600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).