2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide

C7H13F3N2 — CID 58089920

IUPAC2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide
SMILESCC(C)(C)/C(N)=N/CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-6(2,3)5(11)12-4-7(8,9)10/h4H2,1-3H3,(H2,11,12)
InChIKeyLWHMBHJEPCMXIU-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.95
Rot. Bonds1

About 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide

2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide (PubChem CID 58089920) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide
PubChem CID58089920
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide
SMILESCC(C)(C)/C(N)=N/CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-6(2,3)5(11)12-4-7(8,9)10/h4H2,1-3H3,(H2,11,12)
InChIKeyLWHMBHJEPCMXIU-UHFFFAOYSA-N
XLogP1.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.95
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 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide (CID 58089920) is 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide is CC(C)(C)/C(N)=N/CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide?
The InChIKey is LWHMBHJEPCMXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-6(2,3)5(11)12-4-7(8,9)10/h4H2,1-3H3,(H2,11,12).
What are the key properties of 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide?
2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide has a molecular weight of 182.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(2,2,2-trifluoroethyl)propanimidamide is sourced from PubChem (CID 58089920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).