(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine

C10H11FN2O2 — CID 23248110

IUPAC(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN2O2/c1-12(2)7-6-8-9(11)4-3-5-10(8)13(14)15/h3-7H,1-2H3/b7-6+
InChIKeyOKUFRTYEXAOXQZ-VOTSOKGWSA-N
MW210.21 g/mol
LogP2.27
Rot. Bonds3

About (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine

(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine (PubChem CID 23248110) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
PubChem CID23248110
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN2O2/c1-12(2)7-6-8-9(11)4-3-5-10(8)13(14)15/h3-7H,1-2H3/b7-6+
InChIKeyOKUFRTYEXAOXQZ-VOTSOKGWSA-N
XLogP2.27
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine
CID 140784257
(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine
CID 88921202
ethyl (E)-3-(2-fluoro-6-nitrophenyl)prop-2-enoate
CID 163353636
N,2-difluoro-N-methyl-6-nitroaniline
CID 174676085
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide
CID 163387289
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
(E)-2-(3-tert-butyl-2,4,6-trinitrophenyl)-N,N-dimethylethenamine
CID 58201775
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
(Z)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine
CID 56777234
acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine
CID 146217275

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine?
The IUPAC name of (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine (CID 23248110) is (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine is CN(C)/C=C/c1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine?
The InChIKey is OKUFRTYEXAOXQZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-12(2)7-6-8-9(11)4-3-5-10(8)13(14)15/h3-7H,1-2H3/b7-6+.
What are the key properties of (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine?
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine has a molecular weight of 210.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 23248110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).