(1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine

C10H11F2N3 — CID 142967125

IUPAC(1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine
SMILESC/C(=C(F)\C=C(N)/C=C/F)n1ccnc1
InChIInChI=1S/C10H11F2N3/c1-8(15-5-4-14-7-15)10(12)6-9(13)2-3-11/h2-7H,13H2,1H3/b3-2+,9-6+,10-8-
InChIKeyLNKPSDIFUWQZIQ-VPWHWIFMSA-N
MW211.22 g/mol
LogP2.37
Rot. Bonds3

About (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine

(1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine (PubChem CID 142967125) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine
PubChem CID142967125
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name(1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine
SMILESC/C(=C(F)\C=C(N)/C=C/F)n1ccnc1
InChIInChI=1S/C10H11F2N3/c1-8(15-5-4-14-7-15)10(12)6-9(13)2-3-11/h2-7H,13H2,1H3/b3-2+,9-6+,10-8-
InChIKeyLNKPSDIFUWQZIQ-VPWHWIFMSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine?
The IUPAC name of (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine (CID 142967125) is (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine is C/C(=C(F)\C=C(N)/C=C/F)n1ccnc1.
What is the InChIKey of (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine?
The InChIKey is LNKPSDIFUWQZIQ-VPWHWIFMSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-8(15-5-4-14-7-15)10(12)6-9(13)2-3-11/h2-7H,13H2,1H3/b3-2+,9-6+,10-8-.
What are the key properties of (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine?
(1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine has a molecular weight of 211.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-1,5-difluoro-6-imidazol-1-ylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 142967125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).