2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane

C17H24F2O3 — CID 19436106

IUPAC2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane
SMILESCCCCCCC1COC(c2ccccc2OC(F)F)OC1
InChIInChI=1S/C17H24F2O3/c1-2-3-4-5-8-13-11-20-16(21-12-13)14-9-6-7-10-15(14)22-17(18)19/h6-7,9-10,13,16-17H,2-5,8,11-12H2,1H3
InChIKeyFHLPTPRJSMOISB-UHFFFAOYSA-N
MW314.37 g/mol
LogP4.92
Rot. Bonds8

About 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane

2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane (PubChem CID 19436106) has the molecular formula C17H24F2O3 and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane
PubChem CID19436106
Molecular FormulaC17H24F2O3
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC Name2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane
SMILESCCCCCCC1COC(c2ccccc2OC(F)F)OC1
InChIInChI=1S/C17H24F2O3/c1-2-3-4-5-8-13-11-20-16(21-12-13)14-9-6-7-10-15(14)22-17(18)19/h6-7,9-10,13,16-17H,2-5,8,11-12H2,1H3
InChIKeyFHLPTPRJSMOISB-UHFFFAOYSA-N
XLogP4.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-(5-nonyl-1,3-dioxan-2-yl)phenol
CID 54271131
5-[2-(4-decylcyclohexyl)ethyl]-2-(4-fluorophenyl)-1,3-dioxane
CID 70365347
2-[4-[[4-(difluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane
CID 20653885
2-(4-butoxyphenyl)-5-heptyl-1,3-dioxane
CID 12924962
N-decyl-2-(difluoromethoxy)aniline
CID 63489062
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
5-heptyl-2-[4-(trifluoromethyl)phenyl]-1,3-dioxane
CID 19021195
5-decyl-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane
CID 19436142
5-[2-(4-butylcyclohexyl)ethyl]-2-(2-fluoro-3-methylphenyl)-1,3-dioxane
CID 139627980
2-(4-fluorophenyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910587
5-pentyl-2-(2,3,5-trifluoro-4-methylphenyl)-1,3-dioxane
CID 54073720
2-(4-bromophenyl)-5-pentyl-1,3-dioxane
CID 5194456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane (CID 19436106) is 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane is CCCCCCC1COC(c2ccccc2OC(F)F)OC1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane?
The InChIKey is FHLPTPRJSMOISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O3/c1-2-3-4-5-8-13-11-20-16(21-12-13)14-9-6-7-10-15(14)22-17(18)19/h6-7,9-10,13,16-17H,2-5,8,11-12H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane?
2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane has a molecular weight of 314.37 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-5-hexyl-1,3-dioxane is sourced from PubChem (CID 19436106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).