3,3,3-trifluoro-2,2-dimethylpropanimidamide

C5H9F3N2 — CID 58092798

IUPAC3,3,3-trifluoro-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H3,9,10)
InChIKeyJPARVMHNKFLSLH-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.51
Rot. Bonds1

About 3,3,3-trifluoro-2,2-dimethylpropanimidamide

3,3,3-trifluoro-2,2-dimethylpropanimidamide (PubChem CID 58092798) has the molecular formula C5H9F3N2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethylpropanimidamide
PubChem CID58092798
Molecular FormulaC5H9F3N2
Molecular Weight154.14 g/mol
Exact Mass154.07
IUPAC Name3,3,3-trifluoro-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H3,9,10)
InChIKeyJPARVMHNKFLSLH-UHFFFAOYSA-N
XLogP1.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.51
H-Bond Donors ≤ 52
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 3,3,3-trifluoro-2,2-dimethylpropanimidamide?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethylpropanimidamide (CID 58092798) is 3,3,3-trifluoro-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethylpropanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethylpropanimidamide is [H]/N=C(\N)C(C)(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethylpropanimidamide?
The InChIKey is JPARVMHNKFLSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H3,9,10).
What are the key properties of 3,3,3-trifluoro-2,2-dimethylpropanimidamide?
3,3,3-trifluoro-2,2-dimethylpropanimidamide has a molecular weight of 154.14 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethylpropanimidamide is sourced from PubChem (CID 58092798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).