2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane

C9H13FO2 — CID 143318415

IUPAC2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane
SMILESC/C=C(C(\F)=C/C)/C1OCCO1
InChIInChI=1S/C9H13FO2/c1-3-7(8(10)4-2)9-11-5-6-12-9/h3-4,9H,5-6H2,1-2H3/b7-3+,8-4+
InChIKeyXIRXZJTWKRREPF-FCXRPNKRSA-N
MW172.20 g/mol
LogP2.18
Rot. Bonds2

About 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane

2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane (PubChem CID 143318415) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane
PubChem CID143318415
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane
SMILESC/C=C(C(\F)=C/C)/C1OCCO1
InChIInChI=1S/C9H13FO2/c1-3-7(8(10)4-2)9-11-5-6-12-9/h3-4,9H,5-6H2,1-2H3/b7-3+,8-4+
InChIKeyXIRXZJTWKRREPF-FCXRPNKRSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 52.18
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 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane?
The IUPAC name of 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane (CID 143318415) is 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane?
The canonical SMILES for 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane is C/C=C(C(\F)=C/C)/C1OCCO1.
What is the InChIKey of 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane?
The InChIKey is XIRXZJTWKRREPF-FCXRPNKRSA-N. The full InChI is InChI=1S/C9H13FO2/c1-3-7(8(10)4-2)9-11-5-6-12-9/h3-4,9H,5-6H2,1-2H3/b7-3+,8-4+.
What are the key properties of 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane?
2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane has a molecular weight of 172.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-4-fluorohexa-2,4-dien-3-yl]-1,3-dioxolane is sourced from PubChem (CID 143318415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).