2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide

C10H5F7N2O4 — CID 121234879

IUPAC2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
SMILESO=C(Nc1ccc(OC(F)(F)C(F)F)cc1[N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C10H5F7N2O4/c11-7(12)10(16,17)23-4-1-2-5(6(3-4)19(21)22)18-8(20)9(13,14)15/h1-3,7H,(H,18,20)
InChIKeyGVWNJGNOQCCHBY-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.33
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide

2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide (PubChem CID 121234879) has the molecular formula C10H5F7N2O4 and a molecular weight of 350.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
PubChem CID121234879
Molecular FormulaC10H5F7N2O4
Molecular Weight350.15 g/mol
Exact Mass350.01
IUPAC Name2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
SMILESO=C(Nc1ccc(OC(F)(F)C(F)F)cc1[N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C10H5F7N2O4/c11-7(12)10(16,17)23-4-1-2-5(6(3-4)19(21)22)18-8(20)9(13,14)15/h1-3,7H,(H,18,20)
InChIKeyGVWNJGNOQCCHBY-UHFFFAOYSA-N
XLogP3.33
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 4102535
2,2,2-trifluoro-N-(2-nitro-4-phenyldiazenylphenyl)acetamide
CID 555918
2-cyano-N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
CID 168520063
N-(5-chloro-4-fluoro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 2779513
N-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 110443180
[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
CID 118835724
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
N-(4-ethoxy-2-nitrophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
CID 3109819
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide (CID 121234879) is 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide is O=C(Nc1ccc(OC(F)(F)C(F)F)cc1[N+](=O)[O-])C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
The InChIKey is GVWNJGNOQCCHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7N2O4/c11-7(12)10(16,17)23-4-1-2-5(6(3-4)19(21)22)18-8(20)9(13,14)15/h1-3,7H,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide?
2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide has a molecular weight of 350.15 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 121234879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).