[(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine

C14H21FN2O — CID 134448636

IUPAC[(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine
SMILESC=C/C=C(\C=C)OC/C=C(C)\C(NN)=C(\F)CC
InChIInChI=1S/C14H21FN2O/c1-5-8-12(6-2)18-10-9-11(4)14(17-16)13(15)7-3/h5-6,8-9,17H,1-2,7,10,16H2,3-4H3/b11-9-,12-8+,14-13-
InChIKeyIIMUJOROQZRCOA-KGXIUHOASA-N
MW252.33 g/mol
LogP3.26
Rot. Bonds8

About [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine

[(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine (PubChem CID 134448636) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine.

Molecular Properties

Compound Name[(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine
PubChem CID134448636
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine
SMILESC=C/C=C(\C=C)OC/C=C(C)\C(NN)=C(\F)CC
InChIInChI=1S/C14H21FN2O/c1-5-8-12(6-2)18-10-9-11(4)14(17-16)13(15)7-3/h5-6,8-9,17H,1-2,7,10,16H2,3-4H3/b11-9-,12-8+,14-13-
InChIKeyIIMUJOROQZRCOA-KGXIUHOASA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine?
The IUPAC name of [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine (CID 134448636) is [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine.
What is the SMILES notation for [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine?
The canonical SMILES for [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine is C=C/C=C(\C=C)OC/C=C(C)\C(NN)=C(\F)CC.
What is the InChIKey of [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine?
The InChIKey is IIMUJOROQZRCOA-KGXIUHOASA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-8-12(6-2)18-10-9-11(4)14(17-16)13(15)7-3/h5-6,8-9,17H,1-2,7,10,16H2,3-4H3/b11-9-,12-8+,14-13-.
What are the key properties of [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine?
[(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine has a molecular weight of 252.33 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine is sourced from PubChem (CID 134448636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).