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

C11H19F5N2O — CID 106712461

IUPAC2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H19F5N2O/c1-9(2,8(17)18)5-3-4-6-19-7-10(12,13)11(14,15)16/h3-7H2,1-2H3,(H3,17,18)
InChIKeyXJDAPZGSKXVMLJ-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.33
Rot. Bonds8

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

2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide (PubChem CID 106712461) has the molecular formula C11H19F5N2O and a molecular weight of 290.28 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide
PubChem CID106712461
Molecular FormulaC11H19F5N2O
Molecular Weight290.28 g/mol
Exact Mass290.14
IUPAC Name2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H19F5N2O/c1-9(2,8(17)18)5-3-4-6-19-7-10(12,13)11(14,15)16/h3-7H2,1-2H3,(H3,17,18)
InChIKeyXJDAPZGSKXVMLJ-UHFFFAOYSA-N
XLogP3.33
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.33
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'}

Analyze 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide (CID 106712461) is 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide?
The InChIKey is XJDAPZGSKXVMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F5N2O/c1-9(2,8(17)18)5-3-4-6-19-7-10(12,13)11(14,15)16/h3-7H2,1-2H3,(H3,17,18).
What are the key properties of 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide?
2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide has a molecular weight of 290.28 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)hexanimidamide is sourced from PubChem (CID 106712461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).