(E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide

C8H13F3N2 — CID 143155770

IUPAC(E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide
SMILESC/N=C(/C=C(\C)CC(F)(F)F)NC
InChIInChI=1S/C8H13F3N2/c1-6(5-8(9,10)11)4-7(12-2)13-3/h4H,5H2,1-3H3,(H,12,13)/b6-4+
InChIKeyDRSUYXZBTXGYLG-GQCTYLIASA-N
MW194.20 g/mol
LogP2.13
Rot. Bonds2

About (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide

(E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide (PubChem CID 143155770) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide
PubChem CID143155770
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide
SMILESC/N=C(/C=C(\C)CC(F)(F)F)NC
InChIInChI=1S/C8H13F3N2/c1-6(5-8(9,10)11)4-7(12-2)13-3/h4H,5H2,1-3H3,(H,12,13)/b6-4+
InChIKeyDRSUYXZBTXGYLG-GQCTYLIASA-N
XLogP2.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.13
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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Related Compounds

N-(dimethylaminomethylidene)-4,4-difluoro-3-methylpent-2-enimidamide
CID 123481032
(Z)-N,N',3-trimethylpent-2-enimidamide
CID 142051323
(2Z)-N,N',4-trimethylpenta-2,4-dienimidamide
CID 143743862
(E)-N,N',3,4-tetramethylpent-2-enimidamide
CID 166106802
(Z)-N,N',3-trimethylhex-2-enimidamide
CID 143155858

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide?
The IUPAC name of (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide (CID 143155770) is (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide.
What is the SMILES notation for (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide?
The canonical SMILES for (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide is C/N=C(/C=C(\C)CC(F)(F)F)NC.
What is the InChIKey of (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide?
The InChIKey is DRSUYXZBTXGYLG-GQCTYLIASA-N. The full InChI is InChI=1S/C8H13F3N2/c1-6(5-8(9,10)11)4-7(12-2)13-3/h4H,5H2,1-3H3,(H,12,13)/b6-4+.
What are the key properties of (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide?
(E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide has a molecular weight of 194.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-N,N',3-trimethylpent-2-enimidamide is sourced from PubChem (CID 143155770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).