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

C19H33FO2 — CID 18344196

IUPAC2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(C3CCC(CCF)CC3)CC2)OC1
InChIInChI=1S/C19H33FO2/c1-14-12-21-19(22-13-14)18-8-6-17(7-9-18)16-4-2-15(3-5-16)10-11-20/h14-19H,2-13H2,1H3
InChIKeyFHKRDIFERNVHME-UHFFFAOYSA-N
MW312.47 g/mol
LogP4.97
Rot. Bonds4

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

2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane (PubChem CID 18344196) has the molecular formula C19H33FO2 and a molecular weight of 312.47 g/mol. Its IUPAC name is 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane
PubChem CID18344196
Molecular FormulaC19H33FO2
Molecular Weight312.47 g/mol
Exact Mass312.25
IUPAC Name2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(C3CCC(CCF)CC3)CC2)OC1
InChIInChI=1S/C19H33FO2/c1-14-12-21-19(22-13-14)18-8-6-17(7-9-18)16-4-2-15(3-5-16)10-11-20/h14-19H,2-13H2,1H3
InChIKeyFHKRDIFERNVHME-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18343974
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 21359943
5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane
CID 54361723
5-(5-methyl-1,3-dioxan-2-yl)oxan-2-ol
CID 163690105
1-ethyl-4-(2-fluoroethyl)cyclohexane
CID 18344113
2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane
CID 70948958
5-(4-ethenylcyclohexyl)-2-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 88978860
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-[2-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]-1,3-dioxan-5-yl]butan-1-ol
CID 70949000
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 20599965

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane?
The IUPAC name of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane (CID 18344196) is 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane?
The canonical SMILES for 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane is CC1COC(C2CCC(C3CCC(CCF)CC3)CC2)OC1.
What is the InChIKey of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane?
The InChIKey is FHKRDIFERNVHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FO2/c1-14-12-21-19(22-13-14)18-8-6-17(7-9-18)16-4-2-15(3-5-16)10-11-20/h14-19H,2-13H2,1H3.
What are the key properties of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane?
2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane has a molecular weight of 312.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 18344196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).