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

C17H27FO2 — CID 54334191

IUPAC2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane
SMILESCC=CCCC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C17H27FO2/c1-2-3-4-5-15-12-19-17(20-13-15)11-8-14-6-9-16(18)10-7-14/h2-3,9,14-15,17H,4-8,10-13H2,1H3
InChIKeyTUHHNHMHSGZMKC-UHFFFAOYSA-N
MW282.40 g/mol
LogP4.77
Rot. Bonds6

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

2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane (PubChem CID 54334191) has the molecular formula C17H27FO2 and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane
PubChem CID54334191
Molecular FormulaC17H27FO2
Molecular Weight282.40 g/mol
Exact Mass282.20
IUPAC Name2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane
SMILESCC=CCCC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C17H27FO2/c1-2-3-4-5-15-12-19-17(20-13-15)11-8-14-6-9-16(18)10-7-14/h2-3,9,14-15,17H,4-8,10-13H2,1H3
InChIKeyTUHHNHMHSGZMKC-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane
CID 54046771
2-[4-(4-fluorocyclohex-3-en-1-yl)phenyl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 22876128
2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 22876109
5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 22910733
2-(4-fluorocyclohex-3-en-1-yl)ethanamine
CID 146528576
4-hex-4-enyl-1-methylcyclohexene
CID 173420371
5-[(E)-pent-3-enyl]-2-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]-1,3-dioxane
CID 135303149
2-[4-[chloro(difluoro)methyl]-3,5-difluorophenyl]-5-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]-1,3-dioxane
CID 20653916
2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 70950758
5-but-3-enyl-2-[4-(4-fluorocyclohex-3-en-1-yl)phenyl]-1,3-dioxane
CID 22876124
2-[4-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]phenyl]-5-pent-1-enyl-1,3-dioxane
CID 54130812
1-butyl-2,3-difluoro-4-(4-pent-3-enylcyclohexen-1-yl)benzene
CID 76631767

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane?
The IUPAC name of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane (CID 54334191) is 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane.
What is the SMILES notation for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane?
The canonical SMILES for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane is CC=CCCC1COC(CCC2CC=C(F)CC2)OC1.
What is the InChIKey of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane?
The InChIKey is TUHHNHMHSGZMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO2/c1-2-3-4-5-15-12-19-17(20-13-15)11-8-14-6-9-16(18)10-7-14/h2-3,9,14-15,17H,4-8,10-13H2,1H3.
What are the key properties of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane?
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane has a molecular weight of 282.40 g/mol, XLogP of 4.77, 6 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-pent-3-enyl-1,3-dioxane is sourced from PubChem (CID 54334191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).