2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide

C8H11F3N2 — CID 154932669

IUPAC2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide
SMILESC=C(/N=C(/N)C(F)F)/C(F)=C\CC
InChIInChI=1S/C8H11F3N2/c1-3-4-6(9)5(2)13-8(12)7(10)11/h4,7H,2-3H2,1H3,(H2,12,13)/b6-4+
InChIKeySEJDAUUYWGCUET-GQCTYLIASA-N
MW192.18 g/mol
LogP2.39
Rot. Bonds4

About 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide

2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide (PubChem CID 154932669) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide.

Molecular Properties

Compound Name2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide
PubChem CID154932669
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide
SMILESC=C(/N=C(/N)C(F)F)/C(F)=C\CC
InChIInChI=1S/C8H11F3N2/c1-3-4-6(9)5(2)13-8(12)7(10)11/h4,7H,2-3H2,1H3,(H2,12,13)/b6-4+
InChIKeySEJDAUUYWGCUET-GQCTYLIASA-N
XLogP2.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.39
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-fluoropent-2-en-2-yl)ethanimidamide
CID 123982863
N'-[(1E)-3-amino-4-methyl-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide
CID 126756080
(Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide
CID 146489205
N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
CID 164867572
3-amino-5,5,5-trifluoro-N',4,4-trimethylpent-2-enimidamide
CID 173833049

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide?
The IUPAC name of 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide (CID 154932669) is 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide.
What is the SMILES notation for 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide?
The canonical SMILES for 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide is C=C(/N=C(/N)C(F)F)/C(F)=C\CC.
What is the InChIKey of 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide?
The InChIKey is SEJDAUUYWGCUET-GQCTYLIASA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-4-6(9)5(2)13-8(12)7(10)11/h4,7H,2-3H2,1H3,(H2,12,13)/b6-4+.
What are the key properties of 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide?
2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide has a molecular weight of 192.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide is sourced from PubChem (CID 154932669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).