2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide

C5H6F6N2O — CID 102722346

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide
SMILES[H]/N=C(\N)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6N2O/c6-4(7,8)3(5(9,10)11)14-1-2(12)13/h3H,1H2,(H3,12,13)
InChIKeyDFNNQLHUHKZOPE-UHFFFAOYSA-N
MW224.10 g/mol
LogP1.43
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide (PubChem CID 102722346) has the molecular formula C5H6F6N2O and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide
PubChem CID102722346
Molecular FormulaC5H6F6N2O
Molecular Weight224.10 g/mol
Exact Mass224.04
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide
SMILES[H]/N=C(\N)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6N2O/c6-4(7,8)3(5(9,10)11)14-1-2(12)13/h3H,1H2,(H3,12,13)
InChIKeyDFNNQLHUHKZOPE-UHFFFAOYSA-N
XLogP1.43
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 51.43
H-Bond Donors ≤ 52
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 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide (CID 102722346) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide is [H]/N=C(\N)COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide?
The InChIKey is DFNNQLHUHKZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6N2O/c6-4(7,8)3(5(9,10)11)14-1-2(12)13/h3H,1H2,(H3,12,13).
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide has a molecular weight of 224.10 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide is sourced from PubChem (CID 102722346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).