2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline

C7H7F3N4O2 — CID 153338634

IUPAC2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline
SMILESNNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1N
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)4-1-3(14(15)16)2-5(13-12)6(4)11/h1-2,13H,11-12H2
InChIKeyWQCQTMUBHUOYAF-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.48
Rot. Bonds2

About 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline

2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline (PubChem CID 153338634) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline
PubChem CID153338634
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Name2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline
SMILESNNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1N
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)4-1-3(14(15)16)2-5(13-12)6(4)11/h1-2,13H,11-12H2
InChIKeyWQCQTMUBHUOYAF-UHFFFAOYSA-N
XLogP1.48
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

2-amino-5-nitro-3-(trifluoromethyl)benzenesulfonic acid
CID 23216665
2-fluoro-5-nitro-3-(trifluoromethyl)aniline
CID 131317889
[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 118807774
2,4-dinitro-6-(trifluoromethyl)benzenediazonium
CID 56974236
2-hydrazinyl-5-nitroaniline
CID 130769325
2-chloro-1-methyl-5-nitro-3-(trifluoromethyl)benzene
CID 13489933
1-bromo-2-methyl-5-nitro-3-(trifluoromethyl)benzene
CID 58563490
2-bromo-5-nitro-3-(trifluoromethyl)pyridine
CID 53486350
5,13-dinitro-3,11-bis(trifluoromethyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 129155944
[4-nitro-2-(trifluoromethoxy)phenyl]hydrazine
CID 118807665
N-(2-chloro-5-nitrophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
CID 22769708
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline?
The IUPAC name of 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline (CID 153338634) is 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline is NNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1N.
What is the InChIKey of 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline?
The InChIKey is WQCQTMUBHUOYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c8-7(9,10)4-1-3(14(15)16)2-5(13-12)6(4)11/h1-2,13H,11-12H2.
What are the key properties of 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline?
2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline has a molecular weight of 236.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 153338634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).