(4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol

C10H15FO3 — CID 144811893

IUPAC(4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol
SMILESC=C(/C=C(\C(=C)F)C(O)CCO)OC
InChIInChI=1S/C10H15FO3/c1-7(14-3)6-9(8(2)11)10(13)4-5-12/h6,10,12-13H,1-2,4-5H2,3H3/b9-6+
InChIKeyUFZGBWSJIXLOJK-RMKNXTFCSA-N
MW202.22 g/mol
LogP1.30
Rot. Bonds6

About (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol

(4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol (PubChem CID 144811893) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol.

Molecular Properties

Compound Name(4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol
PubChem CID144811893
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name(4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol
SMILESC=C(/C=C(\C(=C)F)C(O)CCO)OC
InChIInChI=1S/C10H15FO3/c1-7(14-3)6-9(8(2)11)10(13)4-5-12/h6,10,12-13H,1-2,4-5H2,3H3/b9-6+
InChIKeyUFZGBWSJIXLOJK-RMKNXTFCSA-N
XLogP1.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol?
The IUPAC name of (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol (CID 144811893) is (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol.
What is the SMILES notation for (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol?
The canonical SMILES for (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol is C=C(/C=C(\C(=C)F)C(O)CCO)OC.
What is the InChIKey of (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol?
The InChIKey is UFZGBWSJIXLOJK-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H15FO3/c1-7(14-3)6-9(8(2)11)10(13)4-5-12/h6,10,12-13H,1-2,4-5H2,3H3/b9-6+.
What are the key properties of (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol?
(4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol has a molecular weight of 202.22 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1-fluoroethenyl)-6-methoxyhepta-4,6-diene-1,3-diol is sourced from PubChem (CID 144811893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).