1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine

C11H16ClFN2 — CID 170002107

IUPAC1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine
SMILESC#C/C(=C/C(Cl)=C(\C)F)C(CC)NNC
InChIInChI=1S/C11H16ClFN2/c1-5-9(7-10(12)8(3)13)11(6-2)15-14-4/h1,7,11,14-15H,6H2,2-4H3/b9-7-,10-8-
InChIKeyFINGWVHUIHIPFJ-XOHWUJONSA-N
MW230.71 g/mol
LogP2.49
Rot. Bonds5

About 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine

1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine (PubChem CID 170002107) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine
PubChem CID170002107
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine
SMILESC#C/C(=C/C(Cl)=C(\C)F)C(CC)NNC
InChIInChI=1S/C11H16ClFN2/c1-5-9(7-10(12)8(3)13)11(6-2)15-14-4/h1,7,11,14-15H,6H2,2-4H3/b9-7-,10-8-
InChIKeyFINGWVHUIHIPFJ-XOHWUJONSA-N
XLogP2.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine?
The IUPAC name of 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine (CID 170002107) is 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine?
The canonical SMILES for 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine is C#C/C(=C/C(Cl)=C(\C)F)C(CC)NNC.
What is the InChIKey of 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine?
The InChIKey is FINGWVHUIHIPFJ-XOHWUJONSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-5-9(7-10(12)8(3)13)11(6-2)15-14-4/h1,7,11,14-15H,6H2,2-4H3/b9-7-,10-8-.
What are the key properties of 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine?
1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine has a molecular weight of 230.71 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6Z)-6-chloro-4-ethynyl-7-fluoroocta-4,6-dien-3-yl]-2-methylhydrazine is sourced from PubChem (CID 170002107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).