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

C18H24F2O3 — CID 141329854

IUPAC2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane
SMILESCOc1ccc(C2CCC(C(C)C3OCCO3)CC2)c(F)c1F
InChIInChI=1S/C18H24F2O3/c1-11(18-22-9-10-23-18)12-3-5-13(6-4-12)14-7-8-15(21-2)17(20)16(14)19/h7-8,11-13,18H,3-6,9-10H2,1-2H3
InChIKeyFJERKNQTCUSCHF-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.26
Rot. Bonds4

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

2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane (PubChem CID 141329854) has the molecular formula C18H24F2O3 and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane
PubChem CID141329854
Molecular FormulaC18H24F2O3
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane
SMILESCOc1ccc(C2CCC(C(C)C3OCCO3)CC2)c(F)c1F
InChIInChI=1S/C18H24F2O3/c1-11(18-22-9-10-23-18)12-3-5-13(6-4-12)14-7-8-15(21-2)17(20)16(14)19/h7-8,11-13,18H,3-6,9-10H2,1-2H3
InChIKeyFJERKNQTCUSCHF-UHFFFAOYSA-N
XLogP4.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane (CID 141329854) is 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane is COc1ccc(C2CCC(C(C)C3OCCO3)CC2)c(F)c1F.
What is the InChIKey of 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane?
The InChIKey is FJERKNQTCUSCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2O3/c1-11(18-22-9-10-23-18)12-3-5-13(6-4-12)14-7-8-15(21-2)17(20)16(14)19/h7-8,11-13,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane?
2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane has a molecular weight of 326.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 141329854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).