N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide

C10H6F7N3O3 — CID 5464091

IUPACN-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
SMILESNc1c(NC(=O)C(F)(F)C(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H6F7N3O3/c11-7(12)9(13,14)8(21)19-4-1-3(10(15,16)17)2-5(6(4)18)20(22)23/h1-2,7H,18H2,(H,19,21)
InChIKeyYUANPWFOQAEKNA-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.03
Rot. Bonds4

About N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide

N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 5464091) has the molecular formula C10H6F7N3O3 and a molecular weight of 349.16 g/mol. Its IUPAC name is N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID5464091
Molecular FormulaC10H6F7N3O3
Molecular Weight349.16 g/mol
Exact Mass349.03
IUPAC NameN-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
SMILESNc1c(NC(=O)C(F)(F)C(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H6F7N3O3/c11-7(12)9(13,14)8(21)19-4-1-3(10(15,16)17)2-5(6(4)18)20(22)23/h1-2,7H,18H2,(H,19,21)
InChIKeyYUANPWFOQAEKNA-UHFFFAOYSA-N
XLogP3.03
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide (CID 5464091) is N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide is Nc1c(NC(=O)C(F)(F)C(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is YUANPWFOQAEKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F7N3O3/c11-7(12)9(13,14)8(21)19-4-1-3(10(15,16)17)2-5(6(4)18)20(22)23/h1-2,7H,18H2,(H,19,21).
What are the key properties of N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 349.16 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 5464091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).