N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide

C7H12F3N3 — CID 142387065

IUPACN-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide
SMILES[H]/N=C(\CC)N(CC)/C(=N/[H])C(F)(F)F
InChIInChI=1S/C7H12F3N3/c1-3-5(11)13(4-2)6(12)7(8,9)10/h11-12H,3-4H2,1-2H3/b11-5+,12-6+
InChIKeyDXUFOBRRYUKGKR-YDWXAUTNSA-N
MW195.19 g/mol
LogP2.24
Rot. Bonds2

About N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide

N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide (PubChem CID 142387065) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide
PubChem CID142387065
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide
SMILES[H]/N=C(\CC)N(CC)/C(=N/[H])C(F)(F)F
InChIInChI=1S/C7H12F3N3/c1-3-5(11)13(4-2)6(12)7(8,9)10/h11-12H,3-4H2,1-2H3/b11-5+,12-6+
InChIKeyDXUFOBRRYUKGKR-YDWXAUTNSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide (CID 142387065) is N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide is [H]/N=C(\CC)N(CC)/C(=N/[H])C(F)(F)F.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide?
The InChIKey is DXUFOBRRYUKGKR-YDWXAUTNSA-N. The full InChI is InChI=1S/C7H12F3N3/c1-3-5(11)13(4-2)6(12)7(8,9)10/h11-12H,3-4H2,1-2H3/b11-5+,12-6+.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide?
N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide has a molecular weight of 195.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethanimidoyl)propanimidamide is sourced from PubChem (CID 142387065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).