2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide

C11H20F4N2O — CID 106712373

IUPAC2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOCC(F)(F)C(F)F
InChIInChI=1S/C11H20F4N2O/c1-10(2,9(16)17)5-3-4-6-18-7-11(14,15)8(12)13/h8H,3-7H2,1-2H3,(H3,16,17)
InChIKeyTWWWHVLLGBIULW-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.04
Rot. Bonds9

About 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide

2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide (PubChem CID 106712373) has the molecular formula C11H20F4N2O and a molecular weight of 272.29 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide
PubChem CID106712373
Molecular FormulaC11H20F4N2O
Molecular Weight272.29 g/mol
Exact Mass272.15
IUPAC Name2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOCC(F)(F)C(F)F
InChIInChI=1S/C11H20F4N2O/c1-10(2,9(16)17)5-3-4-6-18-7-11(14,15)8(12)13/h8H,3-7H2,1-2H3,(H3,16,17)
InChIKeyTWWWHVLLGBIULW-UHFFFAOYSA-N
XLogP3.04
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide (CID 106712373) is 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOCC(F)(F)C(F)F.
What is the InChIKey of 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide?
The InChIKey is TWWWHVLLGBIULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4N2O/c1-10(2,9(16)17)5-3-4-6-18-7-11(14,15)8(12)13/h8H,3-7H2,1-2H3,(H3,16,17).
What are the key properties of 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide?
2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide has a molecular weight of 272.29 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)hexanimidamide is sourced from PubChem (CID 106712373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).