N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide

C8H7F3N2O2 — CID 139644460

IUPACN-methyl-N-[3-(trifluoromethyl)phenyl]nitramide
SMILESCN(c1cccc(C(F)(F)F)c1)[N+](=O)[O-]
InChIInChI=1S/C8H7F3N2O2/c1-12(13(14)15)7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
InChIKeyJAPQPTHOBCGAJG-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.33
Rot. Bonds2

About N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide

N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide (PubChem CID 139644460) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide.

Molecular Properties

Compound NameN-methyl-N-[3-(trifluoromethyl)phenyl]nitramide
PubChem CID139644460
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC NameN-methyl-N-[3-(trifluoromethyl)phenyl]nitramide
SMILESCN(c1cccc(C(F)(F)F)c1)[N+](=O)[O-]
InChIInChI=1S/C8H7F3N2O2/c1-12(13(14)15)7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
InChIKeyJAPQPTHOBCGAJG-UHFFFAOYSA-N
XLogP2.33
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243
1-nitro-3-(trifluoromethyl)benzene;oxalonitrile
CID 159395487
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 142084157
N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 59479747
N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
CID 118830034
N-[(E)-3-nitro-4-oxobut-2-en-2-yl]-3-(trifluoromethyl)benzeneamine oxide
CID 163691157
2,4-dinitro-N-propyl-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 20551064

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide?
The IUPAC name of N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide (CID 139644460) is N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide.
What is the SMILES notation for N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide?
The canonical SMILES for N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide is CN(c1cccc(C(F)(F)F)c1)[N+](=O)[O-].
What is the InChIKey of N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide?
The InChIKey is JAPQPTHOBCGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-12(13(14)15)7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3.
What are the key properties of N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide?
N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide has a molecular weight of 220.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide is sourced from PubChem (CID 139644460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).