(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine

C11H12F2N2O3 — CID 88921202

IUPAC(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1c(OC(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H12F2N2O3/c1-14(2)7-6-8-9(15(16)17)4-3-5-10(8)18-11(12)13/h3-7,11H,1-2H3/b7-6+
InChIKeyXXWYNOPNNRVEGO-VOTSOKGWSA-N
MW258.22 g/mol
LogP2.73
Rot. Bonds5

About (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine

(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine (PubChem CID 88921202) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine
PubChem CID88921202
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1c(OC(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H12F2N2O3/c1-14(2)7-6-8-9(15(16)17)4-3-5-10(8)18-11(12)13/h3-7,11H,1-2H3/b7-6+
InChIKeyXXWYNOPNNRVEGO-VOTSOKGWSA-N
XLogP2.73
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110
2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine
CID 140784257
N-[3-(difluoromethoxy)-2-[(E)-2-(dimethylamino)ethenyl]phenyl]-N-oxidohydroxylamine
CID 163975600
CID 162601038
CID 162601038
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
(E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine
CID 162421572
6-(difluoromethoxy)-2-fluoro-3-nitrobenzaldehyde
CID 171031933
2-(4-chlorobut-1-enyl)-1-methoxy-3-nitrobenzene
CID 170499814
(E)-3-[3-(difluoromethoxy)-2-formyl-6-nitrophenyl]prop-2-enoic acid
CID 171027422
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
4-(2-methoxy-6-nitrophenyl)but-3-enal
CID 170482533

Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine (CID 88921202) is (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine is CN(C)/C=C/c1c(OC(F)F)cccc1[N+](=O)[O-].
What is the InChIKey of (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine?
The InChIKey is XXWYNOPNNRVEGO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-14(2)7-6-8-9(15(16)17)4-3-5-10(8)18-11(12)13/h3-7,11H,1-2H3/b7-6+.
What are the key properties of (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine?
(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine has a molecular weight of 258.22 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine is sourced from PubChem (CID 88921202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).