N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide

C7H10F3N3 — CID 139563847

IUPACN-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide
SMILESC/N=C(\N(C)C(C)C#N)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-5(4-11)13(3)6(12-2)7(8,9)10/h5H,1-3H3/b12-6-
InChIKeyHPWCJQYUZCULQL-SDQBBNPISA-N
MW193.17 g/mol
LogP1.42
Rot. Bonds1

About N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide

N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide (PubChem CID 139563847) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide
PubChem CID139563847
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC NameN-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide
SMILESC/N=C(\N(C)C(C)C#N)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-5(4-11)13(3)6(12-2)7(8,9)10/h5H,1-3H3/b12-6-
InChIKeyHPWCJQYUZCULQL-SDQBBNPISA-N
XLogP1.42
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
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-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide?
The IUPAC name of N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide (CID 139563847) is N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide.
What is the SMILES notation for N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide?
The canonical SMILES for N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide is C/N=C(\N(C)C(C)C#N)C(F)(F)F.
What is the InChIKey of N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide?
The InChIKey is HPWCJQYUZCULQL-SDQBBNPISA-N. The full InChI is InChI=1S/C7H10F3N3/c1-5(4-11)13(3)6(12-2)7(8,9)10/h5H,1-3H3/b12-6-.
What are the key properties of N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide?
N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide has a molecular weight of 193.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide is sourced from PubChem (CID 139563847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).