(2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide

C9H12FIN2 — CID 155349655

IUPAC(2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide
SMILESC/C=C\N=C(N)\C=C(I)/C(F)=C\C
InChIInChI=1S/C9H12FIN2/c1-3-5-13-9(12)6-8(11)7(10)4-2/h3-6H,1-2H3,(H2,12,13)/b5-3-,7-4+,8-6+
InChIKeyZZVRCGFNJCFKLA-MCEUHYDUSA-N
MW294.11 g/mol
LogP3.07
Rot. Bonds3

About (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide

(2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide (PubChem CID 155349655) has the molecular formula C9H12FIN2 and a molecular weight of 294.11 g/mol. Its IUPAC name is (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide
PubChem CID155349655
Molecular FormulaC9H12FIN2
Molecular Weight294.11 g/mol
Exact Mass294.00
IUPAC Name(2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide
SMILESC/C=C\N=C(N)\C=C(I)/C(F)=C\C
InChIInChI=1S/C9H12FIN2/c1-3-5-13-9(12)6-8(11)7(10)4-2/h3-6H,1-2H3,(H2,12,13)/b5-3-,7-4+,8-6+
InChIKeyZZVRCGFNJCFKLA-MCEUHYDUSA-N
XLogP3.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.07
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide?
The IUPAC name of (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide (CID 155349655) is (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide.
What is the SMILES notation for (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide?
The canonical SMILES for (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide is C/C=C\N=C(N)\C=C(I)/C(F)=C\C.
What is the InChIKey of (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide?
The InChIKey is ZZVRCGFNJCFKLA-MCEUHYDUSA-N. The full InChI is InChI=1S/C9H12FIN2/c1-3-5-13-9(12)6-8(11)7(10)4-2/h3-6H,1-2H3,(H2,12,13)/b5-3-,7-4+,8-6+.
What are the key properties of (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide?
(2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide has a molecular weight of 294.11 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-fluoro-3-iodo-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide is sourced from PubChem (CID 155349655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).