N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide

C7H12F3N3 — CID 167095335

IUPACN'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide
SMILESC=CN/C(=N\C(C)CN)C(F)(F)F
InChIInChI=1S/C7H12F3N3/c1-3-12-6(7(8,9)10)13-5(2)4-11/h3,5H,1,4,11H2,2H3,(H,12,13)
InChIKeyFYHHZQPALRMAMK-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.03
Rot. Bonds3

About N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide

N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide (PubChem CID 167095335) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide
PubChem CID167095335
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC NameN'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide
SMILESC=CN/C(=N\C(C)CN)C(F)(F)F
InChIInChI=1S/C7H12F3N3/c1-3-12-6(7(8,9)10)13-5(2)4-11/h3,5H,1,4,11H2,2H3,(H,12,13)
InChIKeyFYHHZQPALRMAMK-UHFFFAOYSA-N
XLogP1.03
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.03
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide (CID 167095335) is N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide is C=CN/C(=N\C(C)CN)C(F)(F)F.
What is the InChIKey of N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide?
The InChIKey is FYHHZQPALRMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3/c1-3-12-6(7(8,9)10)13-5(2)4-11/h3,5H,1,4,11H2,2H3,(H,12,13).
What are the key properties of N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide?
N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide has a molecular weight of 195.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-aminopropan-2-yl)-N-ethenyl-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 167095335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).