(3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid

C10H11FO4 — CID 156646685

IUPAC(3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid
SMILESC=C/C=C(\C(=C)F)C(OC(C)=O)C(=O)O
InChIInChI=1S/C10H11FO4/c1-4-5-8(6(2)11)9(10(13)14)15-7(3)12/h4-5,9H,1-2H2,3H3,(H,13,14)/b8-5+
InChIKeyHSGZGLVCMWZVNC-VMPITWQZSA-N
MW214.19 g/mol
LogP1.60
Rot. Bonds5

About (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid

(3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid (PubChem CID 156646685) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid.

Molecular Properties

Compound Name(3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid
PubChem CID156646685
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name(3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid
SMILESC=C/C=C(\C(=C)F)C(OC(C)=O)C(=O)O
InChIInChI=1S/C10H11FO4/c1-4-5-8(6(2)11)9(10(13)14)15-7(3)12/h4-5,9H,1-2H2,3H3,(H,13,14)/b8-5+
InChIKeyHSGZGLVCMWZVNC-VMPITWQZSA-N
XLogP1.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid?
The IUPAC name of (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid (CID 156646685) is (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid.
What is the SMILES notation for (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid?
The canonical SMILES for (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid is C=C/C=C(\C(=C)F)C(OC(C)=O)C(=O)O.
What is the InChIKey of (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid?
The InChIKey is HSGZGLVCMWZVNC-VMPITWQZSA-N. The full InChI is InChI=1S/C10H11FO4/c1-4-5-8(6(2)11)9(10(13)14)15-7(3)12/h4-5,9H,1-2H2,3H3,(H,13,14)/b8-5+.
What are the key properties of (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid?
(3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-acetyloxy-3-(1-fluoroethenyl)hexa-3,5-dienoic acid is sourced from PubChem (CID 156646685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).