2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen

C18H24F4O3 — CID 159010713

IUPAC2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen
SMILESCC1CCC(C2COC(c3cc(F)c(OC(F)F)c(F)c3)OC2)CC1.[H][H]
InChIInChI=1S/C18H22F4O3.H2/c1-10-2-4-11(5-3-10)13-8-23-17(24-9-13)12-6-14(19)16(15(20)7-12)25-18(21)22;/h6-7,10-11,13,17-18H,2-5,8-9H2,1H3;1H
InChIKeyJSLHWFBGKNTWJA-UHFFFAOYSA-N
MW364.38 g/mol
LogP5.30
Rot. Bonds4

About 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen

2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen (PubChem CID 159010713) has the molecular formula C18H24F4O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen
PubChem CID159010713
Molecular FormulaC18H24F4O3
Molecular Weight364.38 g/mol
Exact Mass364.17
IUPAC Name2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen
SMILESCC1CCC(C2COC(c3cc(F)c(OC(F)F)c(F)c3)OC2)CC1.[H][H]
InChIInChI=1S/C18H22F4O3.H2/c1-10-2-4-11(5-3-10)13-8-23-17(24-9-13)12-6-14(19)16(15(20)7-12)25-18(21)22;/h6-7,10-11,13,17-18H,2-5,8-9H2,1H3;1H
InChIKeyJSLHWFBGKNTWJA-UHFFFAOYSA-N
XLogP5.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluoro-4-methylphenyl)-5-(4-methylcyclohexyl)-1,3-dioxane
CID 21136668
2-[3,5-difluoro-4-[fluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane
CID 143091550
2-[4-(difluoromethoxy)-3,5-difluorophenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837498
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 22886894
2-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-3-fluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane
CID 58151025
2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene
CID 20591349
[4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 20591361
2-(4-butylcyclohexyl)-6-[4-(difluoromethoxy)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837418
2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
CID 18344234
2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-pent-2-enylcyclohexyl)cyclohexyl]benzene
CID 54438309
[4-[5-(4-ethylcyclohexyl)-1,3-dioxan-2-yl]-2,6-difluorophenyl] 2,2,3,3,4,4,4-heptafluorobutanoate
CID 20615214
2-[4-(difluoromethoxy)-3,5-difluorophenyl]-6-(4-heptylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837246

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen?
The IUPAC name of 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen (CID 159010713) is 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen?
The canonical SMILES for 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen is CC1CCC(C2COC(c3cc(F)c(OC(F)F)c(F)c3)OC2)CC1.[H][H].
What is the InChIKey of 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen?
The InChIKey is JSLHWFBGKNTWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4O3.H2/c1-10-2-4-11(5-3-10)13-8-23-17(24-9-13)12-6-14(19)16(15(20)7-12)25-18(21)22;/h6-7,10-11,13,17-18H,2-5,8-9H2,1H3;1H.
What are the key properties of 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen?
2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen has a molecular weight of 364.38 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;molecular hydrogen is sourced from PubChem (CID 159010713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).