N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide

C5H9F3N2 — CID 13377748

IUPACN-ethyl-2,2,2-trifluoro-N'-methylethanimidamide
SMILESCCN/C(=N\C)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3-10-4(9-2)5(6,7)8/h3H2,1-2H3,(H,9,10)
InChIKeyIVRVXZDAPLGUKD-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.19
Rot. Bonds1

About N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide

N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide (PubChem CID 13377748) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N'-methylethanimidamide
PubChem CID13377748
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC NameN-ethyl-2,2,2-trifluoro-N'-methylethanimidamide
SMILESCCN/C(=N\C)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3-10-4(9-2)5(6,7)8/h3H2,1-2H3,(H,9,10)
InChIKeyIVRVXZDAPLGUKD-UHFFFAOYSA-N
XLogP1.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.19
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-ethyl-2,2,2-trifluoro-N'-methylethanimidamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide (CID 13377748) is N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide is CCN/C(=N\C)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide?
The InChIKey is IVRVXZDAPLGUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-3-10-4(9-2)5(6,7)8/h3H2,1-2H3,(H,9,10).
What are the key properties of N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide?
N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide has a molecular weight of 154.13 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide is sourced from PubChem (CID 13377748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).