N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C8H11F3N2O3 — CID 78888327

IUPACN-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CC1[N+](=O)[O-]
InChIInChI=1S/C8H11F3N2O3/c1-2-12(4-8(9,10)11)7(14)5-3-6(5)13(15)16/h5-6H,2-4H2,1H3
InChIKeyIJCKUXDIXYVWAZ-UHFFFAOYSA-N
MW240.18 g/mol
LogP1.06
Rot. Bonds4

About N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 78888327) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID78888327
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC NameN-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CC1[N+](=O)[O-]
InChIInChI=1S/C8H11F3N2O3/c1-2-12(4-8(9,10)11)7(14)5-3-6(5)13(15)16/h5-6H,2-4H2,1H3
InChIKeyIJCKUXDIXYVWAZ-UHFFFAOYSA-N
XLogP1.06
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 78888327) is N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCN(CC(F)(F)F)C(=O)C1CC1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is IJCKUXDIXYVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-2-12(4-8(9,10)11)7(14)5-3-6(5)13(15)16/h5-6H,2-4H2,1H3.
What are the key properties of N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 240.18 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78888327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).