1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine

C14H19FN2 — CID 123829658

IUPAC1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine
SMILESCC=CC(C)=C(C)N(N)C1=CC=C(F)CC=C1
InChIInChI=1S/C14H19FN2/c1-4-6-11(2)12(3)17(16)14-8-5-7-13(15)9-10-14/h4-6,8-10H,7,16H2,1-3H3
InChIKeyWNYBCGHQISJMSR-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.73
Rot. Bonds3

About 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine

1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine (PubChem CID 123829658) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine.

Molecular Properties

Compound Name1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine
PubChem CID123829658
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine
SMILESCC=CC(C)=C(C)N(N)C1=CC=C(F)CC=C1
InChIInChI=1S/C14H19FN2/c1-4-6-11(2)12(3)17(16)14-8-5-7-13(15)9-10-14/h4-6,8-10H,7,16H2,1-3H3
InChIKeyWNYBCGHQISJMSR-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine?
The IUPAC name of 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine (CID 123829658) is 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine.
What is the SMILES notation for 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine?
The canonical SMILES for 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine is CC=CC(C)=C(C)N(N)C1=CC=C(F)CC=C1.
What is the InChIKey of 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine?
The InChIKey is WNYBCGHQISJMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-4-6-11(2)12(3)17(16)14-8-5-7-13(15)9-10-14/h4-6,8-10H,7,16H2,1-3H3.
What are the key properties of 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine?
1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine has a molecular weight of 234.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine is sourced from PubChem (CID 123829658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).