(3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine

C16H19F2N — CID 142203469

IUPAC(3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine
SMILESC=C/C(F)=C\C=C(/CF)N1/C=C\C/C(C)=C\C=C/C1
InChIInChI=1S/C16H19F2N/c1-3-15(18)9-10-16(13-17)19-11-5-4-7-14(2)8-6-12-19/h3-7,9-10,12H,1,8,11,13H2,2H3/b5-4-,12-6-,14-7-,15-9+,16-10+
InChIKeyAHDIFSLXFDVTBH-CYIUXMNFSA-N
MW263.33 g/mol
LogP4.60
Rot. Bonds4

About (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine

(3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine (PubChem CID 142203469) has the molecular formula C16H19F2N and a molecular weight of 263.33 g/mol. Its IUPAC name is (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine.

Molecular Properties

Compound Name(3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine
PubChem CID142203469
Molecular FormulaC16H19F2N
Molecular Weight263.33 g/mol
Exact Mass263.15
IUPAC Name(3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine
SMILESC=C/C(F)=C\C=C(/CF)N1/C=C\C/C(C)=C\C=C/C1
InChIInChI=1S/C16H19F2N/c1-3-15(18)9-10-16(13-17)19-11-5-4-7-14(2)8-6-12-19/h3-7,9-10,12H,1,8,11,13H2,2H3/b5-4-,12-6-,14-7-,15-9+,16-10+
InChIKeyAHDIFSLXFDVTBH-CYIUXMNFSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine?
The IUPAC name of (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine (CID 142203469) is (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine.
What is the SMILES notation for (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine?
The canonical SMILES for (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine is C=C/C(F)=C\C=C(/CF)N1/C=C\C/C(C)=C\C=C/C1.
What is the InChIKey of (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine?
The InChIKey is AHDIFSLXFDVTBH-CYIUXMNFSA-N. The full InChI is InChI=1S/C16H19F2N/c1-3-15(18)9-10-16(13-17)19-11-5-4-7-14(2)8-6-12-19/h3-7,9-10,12H,1,8,11,13H2,2H3/b5-4-,12-6-,14-7-,15-9+,16-10+.
What are the key properties of (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine?
(3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine has a molecular weight of 263.33 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine is sourced from PubChem (CID 142203469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).