4,4,4-trifluoro-2-methylbutanimidamide

C5H9F3N2 — CID 123500667

IUPAC4,4,4-trifluoro-2-methylbutanimidamide
SMILES[H]/N=C(\N)C(C)CC(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H3,9,10)
InChIKeyBKQAZRJIKZIGTB-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.51
Rot. Bonds2

About 4,4,4-trifluoro-2-methylbutanimidamide

4,4,4-trifluoro-2-methylbutanimidamide (PubChem CID 123500667) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methylbutanimidamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methylbutanimidamide
PubChem CID123500667
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name4,4,4-trifluoro-2-methylbutanimidamide
SMILES[H]/N=C(\N)C(C)CC(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H3,9,10)
InChIKeyBKQAZRJIKZIGTB-UHFFFAOYSA-N
XLogP1.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
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 4,4,4-trifluoro-2-methylbutanimidamide?
The IUPAC name of 4,4,4-trifluoro-2-methylbutanimidamide (CID 123500667) is 4,4,4-trifluoro-2-methylbutanimidamide.
What is the SMILES notation for 4,4,4-trifluoro-2-methylbutanimidamide?
The canonical SMILES for 4,4,4-trifluoro-2-methylbutanimidamide is [H]/N=C(\N)C(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methylbutanimidamide?
The InChIKey is BKQAZRJIKZIGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H3,9,10).
What are the key properties of 4,4,4-trifluoro-2-methylbutanimidamide?
4,4,4-trifluoro-2-methylbutanimidamide has a molecular weight of 154.13 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methylbutanimidamide is sourced from PubChem (CID 123500667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).