3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline

C9H11F3N4O2 — CID 80899062

IUPAC3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
SMILESCN(CC(F)(F)F)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H11F3N4O2/c1-15(5-9(10,11)12)7-4-2-3-6(14-13)8(7)16(17)18/h2-4,14H,5,13H2,1H3
InChIKeyLHSJNDZZDLCLKN-UHFFFAOYSA-N
MW264.21 g/mol
LogP1.88
Rot. Bonds4

About 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline

3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 80899062) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID80899062
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
SMILESCN(CC(F)(F)F)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H11F3N4O2/c1-15(5-9(10,11)12)7-4-2-3-6(14-13)8(7)16(17)18/h2-4,14H,5,13H2,1H3
InChIKeyLHSJNDZZDLCLKN-UHFFFAOYSA-N
XLogP1.88
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 51.88
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

3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 80899610
3-N-(2,2-dimethylpropyl)-3-N-methyl-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80818779
3-N-ethyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80774350
3-N-ethyl-2-nitro-1-N-propyl-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CID 80789477

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline (CID 80899062) is 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline is CN(CC(F)(F)F)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is LHSJNDZZDLCLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-15(5-9(10,11)12)7-4-2-3-6(14-13)8(7)16(17)18/h2-4,14H,5,13H2,1H3.
What are the key properties of 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline?
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 264.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 80899062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).