N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline

C9H9F3N2O2 — CID 164822565

IUPACN,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline
SMILESCN(C)c1c([N+](=O)[O-])cccc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-13(2)8-6(9(10,11)12)4-3-5-7(8)14(15)16/h3-5H,1-2H3
InChIKeyCWQLYEDBEJXJHM-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.68
Rot. Bonds2

About N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline

N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline (PubChem CID 164822565) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline
PubChem CID164822565
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC NameN,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline
SMILESCN(C)c1c([N+](=O)[O-])cccc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-13(2)8-6(9(10,11)12)4-3-5-7(8)14(15)16/h3-5H,1-2H3
InChIKeyCWQLYEDBEJXJHM-UHFFFAOYSA-N
XLogP2.68
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.68
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-nitro-6-(trifluoromethyl)aniline
CID 10703457
2-ethyl-1-nitro-3-(trifluoromethyl)benzene
CID 121426134
2-(difluoromethyl)-1-nitro-3-(trifluoromethyl)benzene
CID 46311753
N-bromo-2-nitro-6-(trifluoromethyl)aniline
CID 150445517
2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline
CID 143122342
N,2-difluoro-N-methyl-6-nitroaniline
CID 174676085
methyl 2-nitro-6-(trifluoromethyl)benzoate
CID 46311175
4-methyl-1-nitro-2-(trifluoromethyl)benzene
CID 13455432
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
1,2-dichloro-3-[2-nitro-6-(trifluoromethyl)phenyl]benzene
CID 118995063
1-nitro-2-(2-nitropropan-2-yl)benzene
CID 87409221
1-[2-(dimethylamino)phenyl]-2,2,3,3,3-pentafluoro-1-(2-nitrophenyl)propan-1-ol
CID 162511682

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline?
The IUPAC name of N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline (CID 164822565) is N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline?
The canonical SMILES for N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline is CN(C)c1c([N+](=O)[O-])cccc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline?
The InChIKey is CWQLYEDBEJXJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-13(2)8-6(9(10,11)12)4-3-5-7(8)14(15)16/h3-5H,1-2H3.
What are the key properties of N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline?
N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline has a molecular weight of 234.18 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 164822565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).