2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide

C6H11F3N2O — CID 43175221

IUPAC2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(5(10)11)2-12-3-6(7,8)9/h4H,2-3H2,1H3,(H3,10,11)
InChIKeyZDFXTEQRVCAJFC-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.14
Rot. Bonds4

About 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide

2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide (PubChem CID 43175221) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide
PubChem CID43175221
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(5(10)11)2-12-3-6(7,8)9/h4H,2-3H2,1H3,(H3,10,11)
InChIKeyZDFXTEQRVCAJFC-UHFFFAOYSA-N
XLogP1.14
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.14
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-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide (CID 43175221) is 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide is [H]/N=C(\N)C(C)COCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide?
The InChIKey is ZDFXTEQRVCAJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-4(5(10)11)2-12-3-6(7,8)9/h4H,2-3H2,1H3,(H3,10,11).
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide?
2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide has a molecular weight of 184.16 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide is sourced from PubChem (CID 43175221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).