N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide

C7H13F3N2 — CID 59020717

IUPACN-ethyl-4,4,4-trifluoro-N-methylbutanimidamide
SMILES[H]/N=C(/CCC(F)(F)F)N(C)CC
InChIInChI=1S/C7H13F3N2/c1-3-12(2)6(11)4-5-7(8,9)10/h11H,3-5H2,1-2H3/b11-6-
InChIKeyFRPXSLDTTSZVFA-WDZFZDKYSA-N
MW182.19 g/mol
LogP2.26
Rot. Bonds3

About N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide

N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide (PubChem CID 59020717) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-N-methylbutanimidamide
PubChem CID59020717
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC NameN-ethyl-4,4,4-trifluoro-N-methylbutanimidamide
SMILES[H]/N=C(/CCC(F)(F)F)N(C)CC
InChIInChI=1S/C7H13F3N2/c1-3-12(2)6(11)4-5-7(8,9)10/h11H,3-5H2,1-2H3/b11-6-
InChIKeyFRPXSLDTTSZVFA-WDZFZDKYSA-N
XLogP2.26
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.26
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 N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide?
The IUPAC name of N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide (CID 59020717) is N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide is [H]/N=C(/CCC(F)(F)F)N(C)CC.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide?
The InChIKey is FRPXSLDTTSZVFA-WDZFZDKYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-3-12(2)6(11)4-5-7(8,9)10/h11H,3-5H2,1-2H3/b11-6-.
What are the key properties of N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide?
N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide has a molecular weight of 182.19 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide is sourced from PubChem (CID 59020717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).