2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane

C15H23FO2 — CID 54046771

IUPAC2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane
SMILESCC=CC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C15H23FO2/c1-2-3-13-10-17-15(18-11-13)9-6-12-4-7-14(16)8-5-12/h2-3,7,12-13,15H,4-6,8-11H2,1H3
InChIKeyLQCZHRCGROIIFO-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.99
Rot. Bonds4

About 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane

2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane (PubChem CID 54046771) has the molecular formula C15H23FO2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane
PubChem CID54046771
Molecular FormulaC15H23FO2
Molecular Weight254.34 g/mol
Exact Mass254.17
IUPAC Name2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane
SMILESCC=CC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C15H23FO2/c1-2-3-13-10-17-15(18-11-13)9-6-12-4-7-14(16)8-5-12/h2-3,7,12-13,15H,4-6,8-11H2,1H3
InChIKeyLQCZHRCGROIIFO-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane?
The IUPAC name of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane (CID 54046771) is 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane.
What is the SMILES notation for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane?
The canonical SMILES for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane is CC=CC1COC(CCC2CC=C(F)CC2)OC1.
What is the InChIKey of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane?
The InChIKey is LQCZHRCGROIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO2/c1-2-3-13-10-17-15(18-11-13)9-6-12-4-7-14(16)8-5-12/h2-3,7,12-13,15H,4-6,8-11H2,1H3.
What are the key properties of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane?
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane has a molecular weight of 254.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane is sourced from PubChem (CID 54046771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).