N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide

C8H13F3N2 — CID 88590460

IUPACN-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide
SMILESC=CN/C(=N/CC(F)(F)F)C(C)C
InChIInChI=1S/C8H13F3N2/c1-4-12-7(6(2)3)13-5-8(9,10)11/h4,6H,1,5H2,2-3H3,(H,12,13)
InChIKeyZTAVWTOYJVQZJT-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.34
Rot. Bonds3

About N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide

N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide (PubChem CID 88590460) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide.

Molecular Properties

Compound NameN-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide
PubChem CID88590460
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC NameN-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide
SMILESC=CN/C(=N/CC(F)(F)F)C(C)C
InChIInChI=1S/C8H13F3N2/c1-4-12-7(6(2)3)13-5-8(9,10)11/h4,6H,1,5H2,2-3H3,(H,12,13)
InChIKeyZTAVWTOYJVQZJT-UHFFFAOYSA-N
XLogP2.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide?
The IUPAC name of N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide (CID 88590460) is N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide.
What is the SMILES notation for N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide?
The canonical SMILES for N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide is C=CN/C(=N/CC(F)(F)F)C(C)C.
What is the InChIKey of N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide?
The InChIKey is ZTAVWTOYJVQZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-4-12-7(6(2)3)13-5-8(9,10)11/h4,6H,1,5H2,2-3H3,(H,12,13).
What are the key properties of N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide?
N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide has a molecular weight of 194.20 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide is sourced from PubChem (CID 88590460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).