N-[2-(trifluoromethoxy)phenyl]nitramide

C7H5F3N2O3 — CID 70612792

IUPACN-[2-(trifluoromethoxy)phenyl]nitramide
SMILESO=[N+]([O-])Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-4-2-1-3-5(6)11-12(13)14/h1-4,11H
InChIKeyQLUZLRPJMIKVMO-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.19
Rot. Bonds3

About N-[2-(trifluoromethoxy)phenyl]nitramide

N-[2-(trifluoromethoxy)phenyl]nitramide (PubChem CID 70612792) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]nitramide.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]nitramide
PubChem CID70612792
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC NameN-[2-(trifluoromethoxy)phenyl]nitramide
SMILESO=[N+]([O-])Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-4-2-1-3-5(6)11-12(13)14/h1-4,11H
InChIKeyQLUZLRPJMIKVMO-UHFFFAOYSA-N
XLogP2.19
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
N-iodo-2-(trifluoromethoxy)aniline
CID 145093219
1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride
CID 87629751
2,6-difluoro-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 2781758
4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372
3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16960800
1-iodo-2-nitro-3-(trifluoromethoxy)benzene
CID 118807896
2-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 134621077
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]nitramide?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]nitramide (CID 70612792) is N-[2-(trifluoromethoxy)phenyl]nitramide.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]nitramide?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]nitramide is O=[N+]([O-])Nc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]nitramide?
The InChIKey is QLUZLRPJMIKVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-4-2-1-3-5(6)11-12(13)14/h1-4,11H.
What are the key properties of N-[2-(trifluoromethoxy)phenyl]nitramide?
N-[2-(trifluoromethoxy)phenyl]nitramide has a molecular weight of 222.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]nitramide is sourced from PubChem (CID 70612792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).