2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide

C11H14F3N3 — CID 82817189

IUPAC2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide
SMILESCC(C)(C)/C(N)=N/c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3/c1-10(2,3)9(15)17-7-4-5-8(16-6-7)11(12,13)14/h4-6H,1-3H3,(H2,15,17)
InChIKeyTZFCLBXCPCDLJR-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.14
Rot. Bonds1

About 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide

2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide (PubChem CID 82817189) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide
PubChem CID82817189
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide
SMILESCC(C)(C)/C(N)=N/c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3/c1-10(2,3)9(15)17-7-4-5-8(16-6-7)11(12,13)14/h4-6H,1-3H3,(H2,15,17)
InChIKeyTZFCLBXCPCDLJR-UHFFFAOYSA-N
XLogP3.14
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
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-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide (CID 82817189) is 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide is CC(C)(C)/C(N)=N/c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide?
The InChIKey is TZFCLBXCPCDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-10(2,3)9(15)17-7-4-5-8(16-6-7)11(12,13)14/h4-6H,1-3H3,(H2,15,17).
What are the key properties of 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide?
2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide has a molecular weight of 245.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide is sourced from PubChem (CID 82817189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).