[(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine

C14H19FN2O — CID 134448862

IUPAC[(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine
SMILESCC(=C/COC1=CC=CCC=C1)/C(NN)=C(\C)F
InChIInChI=1S/C14H19FN2O/c1-11(14(17-16)12(2)15)9-10-18-13-7-5-3-4-6-8-13/h3,5-9,17H,4,10,16H2,1-2H3/b11-9-,14-12-
InChIKeyYNTJRSRCZDBPPX-YJKQCFOZSA-N
MW250.32 g/mol
LogP3.01
Rot. Bonds5

About [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine

[(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine (PubChem CID 134448862) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine.

Molecular Properties

Compound Name[(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine
PubChem CID134448862
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name[(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine
SMILESCC(=C/COC1=CC=CCC=C1)/C(NN)=C(\C)F
InChIInChI=1S/C14H19FN2O/c1-11(14(17-16)12(2)15)9-10-18-13-7-5-3-4-6-8-13/h3,5-9,17H,4,10,16H2,1-2H3/b11-9-,14-12-
InChIKeyYNTJRSRCZDBPPX-YJKQCFOZSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine?
The IUPAC name of [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine (CID 134448862) is [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine.
What is the SMILES notation for [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine?
The canonical SMILES for [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine is CC(=C/COC1=CC=CCC=C1)/C(NN)=C(\C)F.
What is the InChIKey of [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine?
The InChIKey is YNTJRSRCZDBPPX-YJKQCFOZSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-11(14(17-16)12(2)15)9-10-18-13-7-5-3-4-6-8-13/h3,5-9,17H,4,10,16H2,1-2H3/b11-9-,14-12-.
What are the key properties of [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine?
[(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine has a molecular weight of 250.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine is sourced from PubChem (CID 134448862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).