2-nitro-6-(trifluoromethyl)aniline

C7H5F3N2O2 — CID 10703457

IUPAC2-nitro-6-(trifluoromethyl)aniline
SMILESNc1c([N+](=O)[O-])cccc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3-5(6(4)11)12(13)14/h1-3H,11H2
InChIKeyMFLJFFUIURSSKM-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.20
Rot. Bonds1

About 2-nitro-6-(trifluoromethyl)aniline

2-nitro-6-(trifluoromethyl)aniline (PubChem CID 10703457) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-nitro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-nitro-6-(trifluoromethyl)aniline
PubChem CID10703457
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-nitro-6-(trifluoromethyl)aniline
SMILESNc1c([N+](=O)[O-])cccc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3-5(6(4)11)12(13)14/h1-3H,11H2
InChIKeyMFLJFFUIURSSKM-UHFFFAOYSA-N
XLogP2.20
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(difluoromethyl)-1-nitro-3-(trifluoromethyl)benzene
CID 46311753
2-bromo-6-nitro-3-(trifluoromethyl)aniline
CID 131372104
N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline
CID 164822565
N-bromo-2-nitro-6-(trifluoromethyl)aniline
CID 150445517
2-ethyl-1-nitro-3-(trifluoromethyl)benzene
CID 121426134
2-nitro-6-(2,2,2-trifluoroethyl)aniline
CID 121415761
2-fluoro-6-nitroaniline;hydrochloride
CID 169225840
3-nitro-5-(trifluoromethyl)pyridin-4-amine
CID 118811335
2-ethynyl-6-nitroaniline
CID 129104690
2-bromo-6-nitro-4-[2-(trifluoromethyl)phenyl]aniline
CID 50994279
1,2-dichloro-3-[2-nitro-6-(trifluoromethyl)phenyl]benzene
CID 118995063
methyl 2-nitro-6-(trifluoromethyl)benzoate
CID 46311175

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-(trifluoromethyl)aniline?
The IUPAC name of 2-nitro-6-(trifluoromethyl)aniline (CID 10703457) is 2-nitro-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-nitro-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-nitro-6-(trifluoromethyl)aniline is Nc1c([N+](=O)[O-])cccc1C(F)(F)F.
What is the InChIKey of 2-nitro-6-(trifluoromethyl)aniline?
The InChIKey is MFLJFFUIURSSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3-5(6(4)11)12(13)14/h1-3H,11H2.
What are the key properties of 2-nitro-6-(trifluoromethyl)aniline?
2-nitro-6-(trifluoromethyl)aniline has a molecular weight of 206.12 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 10703457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).