2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane

C14H22F2O2 — CID 20599570

IUPAC2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(CC=C(F)F)CC2)OC1
InChIInChI=1S/C14H22F2O2/c1-10-8-17-14(18-9-10)12-5-2-11(3-6-12)4-7-13(15)16/h7,10-12,14H,2-6,8-9H2,1H3
InChIKeyKFTVBXRLFQAMAK-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.97
Rot. Bonds3

About 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane

2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane (PubChem CID 20599570) has the molecular formula C14H22F2O2 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane
PubChem CID20599570
Molecular FormulaC14H22F2O2
Molecular Weight260.32 g/mol
Exact Mass260.16
IUPAC Name2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(CC=C(F)F)CC2)OC1
InChIInChI=1S/C14H22F2O2/c1-10-8-17-14(18-9-10)12-5-2-11(3-6-12)4-7-13(15)16/h7,10-12,14H,2-6,8-9H2,1H3
InChIKeyKFTVBXRLFQAMAK-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,2-Difluoroethenylidene)-6-methylheptyl]-1,3-dioxane
CID 12161217
2-(4-Propylcyclohexyl)-5-(4,4,4-trifluorobutyl)-1,3-dioxane
CID 19026617
2-(4-Ethylcyclohexyl)-5-(4,4,4-trifluorobutyl)-1,3-dioxane
CID 19026624
2-(4-Butylcyclohexyl)-5-(4,4,4-trifluorobutyl)-1,3-dioxane
CID 19026724
2-(2,2-Difluoroethenyl)-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 20599455
2-(2,2-Difluoroethenyl)-5-(4-pentylcyclohexyl)-1,3-dioxane
CID 20599477
2-[4-(2,2-Difluoroethenyl)cyclohexyl]-5-(5-heptyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599480
2-[4-(2,2-Difluoroethenyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599483
2-[2-[4-(2,2-Difluoroethenyl)cyclohexyl]ethyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20599485
2-[2-[4-(2,2-difluoroethenyl)cyclohexyl]ethyl]-5-[(E)-prop-1-enyl]-1,3-dioxane
CID 20599486
2-[2-[4-(2,2-Difluoroethenyl)cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599487
2-[4-(3,3-Difluoroprop-2-enyl)cyclohexyl]-5-(5-methyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599489

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane?
The IUPAC name of 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane (CID 20599570) is 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane?
The canonical SMILES for 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane is CC1COC(C2CCC(CC=C(F)F)CC2)OC1.
What is the InChIKey of 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane?
The InChIKey is KFTVBXRLFQAMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O2/c1-10-8-17-14(18-9-10)12-5-2-11(3-6-12)4-7-13(15)16/h7,10-12,14H,2-6,8-9H2,1H3.
What are the key properties of 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane?
2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane has a molecular weight of 260.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 20599570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).