2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine

C10H13F3N4O2 — CID 107352881

IUPAC2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)CC(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c1-16(6-10(11,12)13)5-7-3-2-4-8(17(18)19)9(7)15-14/h2-4,15H,5-6,14H2,1H3
InChIKeySTYQSLVQSQHDIO-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.87
Rot. Bonds5

About 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine

2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine (PubChem CID 107352881) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
PubChem CID107352881
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)CC(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c1-16(6-10(11,12)13)5-7-3-2-4-8(17(18)19)9(7)15-14/h2-4,15H,5-6,14H2,1H3
InChIKeySTYQSLVQSQHDIO-UHFFFAOYSA-N
XLogP1.87
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-6-nitroaniline
CID 107350917
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-ethyl-6-nitroaniline
CID 107351125
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044
3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
CID 107352931
2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107353100
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107353064
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine (CID 107352881) is 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine is CN(Cc1cccc([N+](=O)[O-])c1NN)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine?
The InChIKey is STYQSLVQSQHDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-16(6-10(11,12)13)5-7-3-2-4-8(17(18)19)9(7)15-14/h2-4,15H,5-6,14H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine?
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine has a molecular weight of 278.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 107352881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).