2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane

C15H26F2O2 — CID 59875976

IUPAC2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
SMILESCCCC1CCC(CCC2COC(F)(F)OC2)CC1
InChIInChI=1S/C15H26F2O2/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-18-15(16,17)19-11-14/h12-14H,2-11H2,1H3
InChIKeyQQVNBDYITYSPFO-UHFFFAOYSA-N
MW276.37 g/mol
LogP4.59
Rot. Bonds5

About 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane

2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane (PubChem CID 59875976) has the molecular formula C15H26F2O2 and a molecular weight of 276.37 g/mol. Its IUPAC name is 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
PubChem CID59875976
Molecular FormulaC15H26F2O2
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
SMILESCCCC1CCC(CCC2COC(F)(F)OC2)CC1
InChIInChI=1S/C15H26F2O2/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-18-15(16,17)19-11-14/h12-14H,2-11H2,1H3
InChIKeyQQVNBDYITYSPFO-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;propane;propylcyclopropane
CID 145406182
2,2-difluoro-5-(4-propylcyclohexyl)oxane
CID 154524129
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2,2-difluoro-1,3-dioxane
CID 154524113
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1,4-dipropylcyclohexane;pentane
CID 90867354
4-propyldioxolane
CID 174817920
5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
CID 123381650
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine
CID 154524111
5-propyl-1,3-dioxane
CID 12697738

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane?
The IUPAC name of 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane (CID 59875976) is 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane?
The canonical SMILES for 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane is CCCC1CCC(CCC2COC(F)(F)OC2)CC1.
What is the InChIKey of 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane?
The InChIKey is QQVNBDYITYSPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O2/c1-2-3-12-4-6-13(7-5-12)8-9-14-10-18-15(16,17)19-11-14/h12-14H,2-11H2,1H3.
What are the key properties of 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane?
2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane has a molecular weight of 276.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane is sourced from PubChem (CID 59875976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).