(E)-4-imino-2-(trifluoromethyl)hex-2-enamide

C7H9F3N2O — CID 171493586

IUPAC(E)-4-imino-2-(trifluoromethyl)hex-2-enamide
SMILES[H]/N=C(/C=C(\C(N)=O)C(F)(F)F)CC
InChIInChI=1S/C7H9F3N2O/c1-2-4(11)3-5(6(12)13)7(8,9)10/h3,11H,2H2,1H3,(H2,12,13)/b5-3+,11-4+
InChIKeyJVKUZNCCQNPKFX-NIDLAPIMSA-N
MW194.16 g/mol
LogP1.39
Rot. Bonds3

About (E)-4-imino-2-(trifluoromethyl)hex-2-enamide

(E)-4-imino-2-(trifluoromethyl)hex-2-enamide (PubChem CID 171493586) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (E)-4-imino-2-(trifluoromethyl)hex-2-enamide.

Molecular Properties

Compound Name(E)-4-imino-2-(trifluoromethyl)hex-2-enamide
PubChem CID171493586
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(E)-4-imino-2-(trifluoromethyl)hex-2-enamide
SMILES[H]/N=C(/C=C(\C(N)=O)C(F)(F)F)CC
InChIInChI=1S/C7H9F3N2O/c1-2-4(11)3-5(6(12)13)7(8,9)10/h3,11H,2H2,1H3,(H2,12,13)/b5-3+,11-4+
InChIKeyJVKUZNCCQNPKFX-NIDLAPIMSA-N
XLogP1.39
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-imino-4-(trifluoromethyl)hex-3-enamide
CID 87059360
(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide
CID 123637841
2-(Fluoromethyl)-5-iminohex-2-enamide
CID 123968663
(E)-5,5-difluoro-4-imino-2-methylhept-2-enamide
CID 156450838
(E)-6-bromo-4-imino-2-(trifluoromethyl)hex-2-enamide
CID 171493435
(E)-3-methyl-4-methylimino-2-(trifluoromethyl)hex-2-enamide
CID 171493056
(E)-2-(1,1-difluoroethyl)-4-imino-3-methylhex-2-enamide
CID 171493202
(2E)-2-ethylidene-3-iminopent-4-enamide
CID 123362408
(E)-2-ethanimidoylpent-2-enamide
CID 123461047
(E)-4-imino-2-methyl-5-oxohex-2-enamide
CID 143588526

Frequently Asked Questions

What is the IUPAC name of (E)-4-imino-2-(trifluoromethyl)hex-2-enamide?
The IUPAC name of (E)-4-imino-2-(trifluoromethyl)hex-2-enamide (CID 171493586) is (E)-4-imino-2-(trifluoromethyl)hex-2-enamide.
What is the SMILES notation for (E)-4-imino-2-(trifluoromethyl)hex-2-enamide?
The canonical SMILES for (E)-4-imino-2-(trifluoromethyl)hex-2-enamide is [H]/N=C(/C=C(\C(N)=O)C(F)(F)F)CC.
What is the InChIKey of (E)-4-imino-2-(trifluoromethyl)hex-2-enamide?
The InChIKey is JVKUZNCCQNPKFX-NIDLAPIMSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-4(11)3-5(6(12)13)7(8,9)10/h3,11H,2H2,1H3,(H2,12,13)/b5-3+,11-4+.
What are the key properties of (E)-4-imino-2-(trifluoromethyl)hex-2-enamide?
(E)-4-imino-2-(trifluoromethyl)hex-2-enamide has a molecular weight of 194.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imino-2-(trifluoromethyl)hex-2-enamide is sourced from PubChem (CID 171493586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).