N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide

C7H4F3N3O4 — CID 154322390

IUPACN-(2-nitrophenyl)-N-(trifluoromethyl)nitramide
SMILESO=[N+]([O-])c1ccccc1N([N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C7H4F3N3O4/c8-7(9,10)11(13(16)17)5-3-1-2-4-6(5)12(14)15/h1-4H
InChIKeyBWOGCQIULGAGFS-UHFFFAOYSA-N
MW251.12 g/mol
LogP2.11
Rot. Bonds3

About N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide

N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide (PubChem CID 154322390) has the molecular formula C7H4F3N3O4 and a molecular weight of 251.12 g/mol. Its IUPAC name is N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-N-(trifluoromethyl)nitramide
PubChem CID154322390
Molecular FormulaC7H4F3N3O4
Molecular Weight251.12 g/mol
Exact Mass251.02
IUPAC NameN-(2-nitrophenyl)-N-(trifluoromethyl)nitramide
SMILESO=[N+]([O-])c1ccccc1N([N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C7H4F3N3O4/c8-7(9,10)11(13(16)17)5-3-1-2-4-6(5)12(14)15/h1-4H
InChIKeyBWOGCQIULGAGFS-UHFFFAOYSA-N
XLogP2.11
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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

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CID 13272655
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-methyl-N-(2-nitrophenyl)octanamide
CID 22152077
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
azanide;1,2-dinitrobenzene;platinum
CID 158959684
N,N-bis(methoxymethyl)-2-nitroaniline
CID 142764651
N-(2,3-dinitrophenyl)-N-nitronitramide
CID 54447599
fluoromethane;methyl 2-nitrobenzoate;1,1,1-trifluoroethane
CID 159234474
(N-bromo-2-nitroanilino) formate
CID 174813515
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
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-(2-nitrophenyl)-N-(trifluoromethyl)nitramide?
The IUPAC name of N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide (CID 154322390) is N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide.
What is the SMILES notation for N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide?
The canonical SMILES for N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide is O=[N+]([O-])c1ccccc1N([N+](=O)[O-])C(F)(F)F.
What is the InChIKey of N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide?
The InChIKey is BWOGCQIULGAGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O4/c8-7(9,10)11(13(16)17)5-3-1-2-4-6(5)12(14)15/h1-4H.
What are the key properties of N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide?
N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide has a molecular weight of 251.12 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-N-(trifluoromethyl)nitramide is sourced from PubChem (CID 154322390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).