ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide

C7H15F3N2 — CID 143284047

IUPACethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide
SMILESC/N=C(\C)NCC(F)(F)F.CC
InChIInChI=1S/C5H9F3N2.C2H6/c1-4(9-2)10-3-5(6,7)8;1-2/h3H2,1-2H3,(H,9,10);1-2H3
InChIKeyLHCPVFZSXCZPAC-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.21
Rot. Bonds1

About ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide

ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide (PubChem CID 143284047) has the molecular formula C7H15F3N2 and a molecular weight of 184.20 g/mol. Its IUPAC name is ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide
PubChem CID143284047
Molecular FormulaC7H15F3N2
Molecular Weight184.20 g/mol
Exact Mass184.12
IUPAC Nameethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide
SMILESC/N=C(\C)NCC(F)(F)F.CC
InChIInChI=1S/C5H9F3N2.C2H6/c1-4(9-2)10-3-5(6,7)8;1-2/h3H2,1-2H3,(H,9,10);1-2H3
InChIKeyLHCPVFZSXCZPAC-UHFFFAOYSA-N
XLogP2.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.21
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 ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide?
The IUPAC name of ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide (CID 143284047) is ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide?
The canonical SMILES for ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide is C/N=C(\C)NCC(F)(F)F.CC.
What is the InChIKey of ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide?
The InChIKey is LHCPVFZSXCZPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2.C2H6/c1-4(9-2)10-3-5(6,7)8;1-2/h3H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide?
ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide has a molecular weight of 184.20 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide is sourced from PubChem (CID 143284047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).