2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide

C7H14F3N3 — CID 139564039

IUPAC2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide
SMILESC/N=C(\N(C)C(C)NC)C(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-5(11-2)13(4)6(12-3)7(8,9)10/h5,11H,1-4H3/b12-6-
InChIKeyHZIRSPAIXMFVSL-SDQBBNPISA-N
MW197.20 g/mol
LogP1.07
Rot. Bonds2

About 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide

2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide (PubChem CID 139564039) has the molecular formula C7H14F3N3 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide
PubChem CID139564039
Molecular FormulaC7H14F3N3
Molecular Weight197.20 g/mol
Exact Mass197.11
IUPAC Name2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide
SMILESC/N=C(\N(C)C(C)NC)C(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-5(11-2)13(4)6(12-3)7(8,9)10/h5,11H,1-4H3/b12-6-
InChIKeyHZIRSPAIXMFVSL-SDQBBNPISA-N
XLogP1.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide (CID 139564039) is 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide is C/N=C(\N(C)C(C)NC)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide?
The InChIKey is HZIRSPAIXMFVSL-SDQBBNPISA-N. The full InChI is InChI=1S/C7H14F3N3/c1-5(11-2)13(4)6(12-3)7(8,9)10/h5,11H,1-4H3/b12-6-.
What are the key properties of 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide?
2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide has a molecular weight of 197.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide is sourced from PubChem (CID 139564039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).