2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane

C18H24F2O3 — CID 67445463

IUPAC2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane
SMILESCOc1ccc(C2CCC(CCC3OCCO3)CC2)c(F)c1F
InChIInChI=1S/C18H24F2O3/c1-21-15-8-7-14(17(19)18(15)20)13-5-2-12(3-6-13)4-9-16-22-10-11-23-16/h7-8,12-13,16H,2-6,9-11H2,1H3
InChIKeyFHCDNKKOQKCCLA-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.40
Rot. Bonds5

About 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane

2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane (PubChem CID 67445463) has the molecular formula C18H24F2O3 and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane
PubChem CID67445463
Molecular FormulaC18H24F2O3
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane
SMILESCOc1ccc(C2CCC(CCC3OCCO3)CC2)c(F)c1F
InChIInChI=1S/C18H24F2O3/c1-21-15-8-7-14(17(19)18(15)20)13-5-2-12(3-6-13)4-9-16-22-10-11-23-16/h7-8,12-13,16H,2-6,9-11H2,1H3
InChIKeyFHCDNKKOQKCCLA-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane (CID 67445463) is 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane is COc1ccc(C2CCC(CCC3OCCO3)CC2)c(F)c1F.
What is the InChIKey of 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane?
The InChIKey is FHCDNKKOQKCCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2O3/c1-21-15-8-7-14(17(19)18(15)20)13-5-2-12(3-6-13)4-9-16-22-10-11-23-16/h7-8,12-13,16H,2-6,9-11H2,1H3.
What are the key properties of 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane?
2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane has a molecular weight of 326.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 67445463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).