2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide

C7H13F3N2 — CID 139564036

IUPAC2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide
SMILESC/N=C(\NCC(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(2)4-12-6(11-3)7(8,9)10/h5H,4H2,1-3H3,(H,11,12)
InChIKeySRSIVMSCVDOIGG-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.82
Rot. Bonds2

About 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide

2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide (PubChem CID 139564036) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide
PubChem CID139564036
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide
SMILESC/N=C(\NCC(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(2)4-12-6(11-3)7(8,9)10/h5H,4H2,1-3H3,(H,11,12)
InChIKeySRSIVMSCVDOIGG-UHFFFAOYSA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide (CID 139564036) is 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide is C/N=C(\NCC(C)C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide?
The InChIKey is SRSIVMSCVDOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(2)4-12-6(11-3)7(8,9)10/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide?
2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide has a molecular weight of 182.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide is sourced from PubChem (CID 139564036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).