(E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide

C8H11F3N2O — CID 87059495

IUPAC(E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide
SMILESC=C(/C=C(\CC)C(F)(F)F)/C(N)=N/O
InChIInChI=1S/C8H11F3N2O/c1-3-6(8(9,10)11)4-5(2)7(12)13-14/h4,14H,2-3H2,1H3,(H2,12,13)/b6-4+
InChIKeyLQZCPCZZPWWSPD-GQCTYLIASA-N
MW208.18 g/mol
LogP2.19
Rot. Bonds3

About (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide

(E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide (PubChem CID 87059495) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide.

Molecular Properties

Compound Name(E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide
PubChem CID87059495
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name(E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide
SMILESC=C(/C=C(\CC)C(F)(F)F)/C(N)=N/O
InChIInChI=1S/C8H11F3N2O/c1-3-6(8(9,10)11)4-5(2)7(12)13-14/h4,14H,2-3H2,1H3,(H2,12,13)/b6-4+
InChIKeyLQZCPCZZPWWSPD-GQCTYLIASA-N
XLogP2.19
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 135254439
(3Z)-5-fluoro-N'-hydroxy-2-methylidenehexa-3,5-dienimidamide
CID 142573629
(2Z,4Z)-2-ethyl-3-(trifluoromethyl)hepta-2,4,6-trienimidamide
CID 144091394
1-ethyl-N'-hydroxy-2-(trifluoromethyl)-2H-1lambda3-iodinine-4-carboximidamide
CID 155718458
(2E,3Z,5Z)-2-ethylidene-N'-hydroxyhepta-3,5-dienimidamide
CID 88989745
(3Z,5Z)-N'-hydroxy-5-methyl-2-methylidenehepta-3,5-dienimidamide
CID 89358905
N'-hydroxy-4-methylcyclohepta-1,3,6-triene-1-carboximidamide
CID 90765330
N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide
CID 123177460
N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide
CID 123210321
(2E)-2-ethylidene-N'-hydroxypent-3-enimidamide
CID 123276069
(3Z)-N'-hydroxy-5-methyl-2-methylidenehexa-3,5-dienimidamide
CID 123801312
(Z,2E)-2-ethylidene-N'-hydroxyhex-3-enimidamide
CID 123914804

Frequently Asked Questions

What is the IUPAC name of (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide?
The IUPAC name of (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide (CID 87059495) is (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide.
What is the SMILES notation for (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide?
The canonical SMILES for (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide is C=C(/C=C(\CC)C(F)(F)F)/C(N)=N/O.
What is the InChIKey of (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide?
The InChIKey is LQZCPCZZPWWSPD-GQCTYLIASA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-6(8(9,10)11)4-5(2)7(12)13-14/h4,14H,2-3H2,1H3,(H2,12,13)/b6-4+.
What are the key properties of (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide?
(E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide has a molecular weight of 208.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide is sourced from PubChem (CID 87059495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).