2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene

C15H19FO — CID 134449256

IUPAC2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene
SMILESCC/C=C\C=C(\C)COC1C=CC=CC(F)=C1
InChIInChI=1S/C15H19FO/c1-3-4-5-8-13(2)12-17-15-10-7-6-9-14(16)11-15/h4-11,15H,3,12H2,1-2H3/b5-4-,13-8-
InChIKeyZJDQADQYZLYINK-NSMXULMMSA-N
MW234.31 g/mol
LogP4.26
Rot. Bonds5

About 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene

2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene (PubChem CID 134449256) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene
PubChem CID134449256
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene
SMILESCC/C=C\C=C(\C)COC1C=CC=CC(F)=C1
InChIInChI=1S/C15H19FO/c1-3-4-5-8-13(2)12-17-15-10-7-6-9-14(16)11-15/h4-11,15H,3,12H2,1-2H3/b5-4-,13-8-
InChIKeyZJDQADQYZLYINK-NSMXULMMSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.26
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 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene?
The IUPAC name of 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene (CID 134449256) is 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene?
The canonical SMILES for 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene is CC/C=C\C=C(\C)COC1C=CC=CC(F)=C1.
What is the InChIKey of 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene?
The InChIKey is ZJDQADQYZLYINK-NSMXULMMSA-N. The full InChI is InChI=1S/C15H19FO/c1-3-4-5-8-13(2)12-17-15-10-7-6-9-14(16)11-15/h4-11,15H,3,12H2,1-2H3/b5-4-,13-8-.
What are the key properties of 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene?
2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene has a molecular weight of 234.31 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-[(2Z,4Z)-2-methylhepta-2,4-dienoxy]cyclohepta-1,3,5-triene is sourced from PubChem (CID 134449256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).