(1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine

C10H9F2N3 — CID 118970504

IUPAC(1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine
SMILESC/C(C=C(F)F)=C/C(=C\N)C1=CN=C=N1
InChIInChI=1S/C10H9F2N3/c1-7(3-10(11)12)2-8(4-13)9-5-14-6-15-9/h2-5H,13H2,1H3/b7-2-,8-4+
InChIKeySBYQAUJHBVQZRH-GQOUTJHLSA-N
MW209.20 g/mol
LogP2.58
Rot. Bonds3

About (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine

(1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine (PubChem CID 118970504) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine
PubChem CID118970504
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name(1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine
SMILESC/C(C=C(F)F)=C/C(=C\N)C1=CN=C=N1
InChIInChI=1S/C10H9F2N3/c1-7(3-10(11)12)2-8(4-13)9-5-14-6-15-9/h2-5H,13H2,1H3/b7-2-,8-4+
InChIKeySBYQAUJHBVQZRH-GQOUTJHLSA-N
XLogP2.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine with MolForge

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Related Compounds

5-Imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 118970309
5-Imidazol-4-yl-2-methyl-3-(trifluoromethyl)-1,2-dihydropyridine
CID 118970499
N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide
CID 146203764

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine (CID 118970504) is (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine is C/C(C=C(F)F)=C/C(=C\N)C1=CN=C=N1.
What is the InChIKey of (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine?
The InChIKey is SBYQAUJHBVQZRH-GQOUTJHLSA-N. The full InChI is InChI=1S/C10H9F2N3/c1-7(3-10(11)12)2-8(4-13)9-5-14-6-15-9/h2-5H,13H2,1H3/b7-2-,8-4+.
What are the key properties of (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine?
(1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine has a molecular weight of 209.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-6,6-difluoro-2-imidazol-4-yl-4-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 118970504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).