2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide

C9H17F3N2O — CID 66275036

IUPAC2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC(C)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(9(10,11)12)15-5-4-8(2,3)7(13)14/h6H,4-5H2,1-3H3,(H3,13,14)
InChIKeyOMQYLXADDYLXCL-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.31
Rot. Bonds5

About 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide

2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide (PubChem CID 66275036) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
PubChem CID66275036
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC(C)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(9(10,11)12)15-5-4-8(2,3)7(13)14/h6H,4-5H2,1-3H3,(H3,13,14)
InChIKeyOMQYLXADDYLXCL-UHFFFAOYSA-N
XLogP2.31
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.31
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 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The IUPAC name of 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide (CID 66275036) is 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide is [H]/N=C(\N)C(C)(C)CCOC(C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
The InChIKey is OMQYLXADDYLXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(9(10,11)12)15-5-4-8(2,3)7(13)14/h6H,4-5H2,1-3H3,(H3,13,14).
What are the key properties of 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide?
2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide has a molecular weight of 226.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)butanimidamide is sourced from PubChem (CID 66275036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).