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

C21H35FO2 — CID 22876109

IUPAC2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(CCC2CCC(C3CC=C(F)CC3)CC2)OC1
InChIInChI=1S/C21H35FO2/c1-2-3-17-14-23-21(24-15-17)13-6-16-4-7-18(8-5-16)19-9-11-20(22)12-10-19/h11,16-19,21H,2-10,12-15H2,1H3
InChIKeyIZJGOYVHGNPLIZ-UHFFFAOYSA-N
MW338.51 g/mol
LogP6.02
Rot. Bonds6

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

2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane (PubChem CID 22876109) has the molecular formula C21H35FO2 and a molecular weight of 338.51 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane
PubChem CID22876109
Molecular FormulaC21H35FO2
Molecular Weight338.51 g/mol
Exact Mass338.26
IUPAC Name2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(CCC2CCC(C3CC=C(F)CC3)CC2)OC1
InChIInChI=1S/C21H35FO2/c1-2-3-17-14-23-21(24-15-17)13-6-16-4-7-18(8-5-16)19-9-11-20(22)12-10-19/h11,16-19,21H,2-10,12-15H2,1H3
InChIKeyIZJGOYVHGNPLIZ-UHFFFAOYSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorocyclohex-3-en-1-yl)-5-(5-pentyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 22876834
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane
CID 54334191
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene
CID 21464605
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-prop-1-enyl-1,3-dioxane
CID 54046771
2,5-dipropyl-1,3-dioxane
CID 21043213
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
1-(3-fluoro-2,4-dimethylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethanone
CID 118283710
1-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 19984601
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane?
The IUPAC name of 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane (CID 22876109) is 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane is CCCC1COC(CCC2CCC(C3CC=C(F)CC3)CC2)OC1.
What is the InChIKey of 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane?
The InChIKey is IZJGOYVHGNPLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35FO2/c1-2-3-17-14-23-21(24-15-17)13-6-16-4-7-18(8-5-16)19-9-11-20(22)12-10-19/h11,16-19,21H,2-10,12-15H2,1H3.
What are the key properties of 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane?
2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane has a molecular weight of 338.51 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorocyclohex-3-en-1-yl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 22876109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).