methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate

C10H13FO2 — CID 89324339

IUPACmethyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate
SMILESC=C(F)/C=C\C(=C/C)CC(=O)OC
InChIInChI=1S/C10H13FO2/c1-4-9(6-5-8(2)11)7-10(12)13-3/h4-6H,2,7H2,1,3H3/b6-5-,9-4+
InChIKeyUCJMQOGZYKNXFF-CXBDEZGUSA-N
MW184.21 g/mol
LogP2.54
Rot. Bonds4

About methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate

methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate (PubChem CID 89324339) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate.

Molecular Properties

Compound Namemethyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate
PubChem CID89324339
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Namemethyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate
SMILESC=C(F)/C=C\C(=C/C)CC(=O)OC
InChIInChI=1S/C10H13FO2/c1-4-9(6-5-8(2)11)7-10(12)13-3/h4-6H,2,7H2,1,3H3/b6-5-,9-4+
InChIKeyUCJMQOGZYKNXFF-CXBDEZGUSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate?
The IUPAC name of methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate (CID 89324339) is methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate.
What is the SMILES notation for methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate?
The canonical SMILES for methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate is C=C(F)/C=C\C(=C/C)CC(=O)OC.
What is the InChIKey of methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate?
The InChIKey is UCJMQOGZYKNXFF-CXBDEZGUSA-N. The full InChI is InChI=1S/C10H13FO2/c1-4-9(6-5-8(2)11)7-10(12)13-3/h4-6H,2,7H2,1,3H3/b6-5-,9-4+.
What are the key properties of methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate?
methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate has a molecular weight of 184.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate is sourced from PubChem (CID 89324339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).