8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane

C23H24F2O4S — CID 166027392

IUPAC8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(-c2ccc(F)cc2F)cc1)C1(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C23H24F2O4S/c24-18-3-6-20(21(25)15-18)16-1-4-19(5-2-16)30(26,27)22(11-12-22)17-7-9-23(10-8-17)28-13-14-29-23/h1-6,15,17H,7-14H2
InChIKeyWLYFPKMRSMFDSR-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.87
Rot. Bonds4

About 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane

8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 166027392) has the molecular formula C23H24F2O4S and a molecular weight of 434.50 g/mol. Its IUPAC name is 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane
PubChem CID166027392
Molecular FormulaC23H24F2O4S
Molecular Weight434.50 g/mol
Exact Mass434.14
IUPAC Name8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(-c2ccc(F)cc2F)cc1)C1(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C23H24F2O4S/c24-18-3-6-20(21(25)15-18)16-1-4-19(5-2-16)30(26,27)22(11-12-22)17-7-9-23(10-8-17)28-13-14-29-23/h1-6,15,17H,7-14H2
InChIKeyWLYFPKMRSMFDSR-UHFFFAOYSA-N
XLogP4.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane (CID 166027392) is 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane is O=S(=O)(c1ccc(-c2ccc(F)cc2F)cc1)C1(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is WLYFPKMRSMFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2O4S/c24-18-3-6-20(21(25)15-18)16-1-4-19(5-2-16)30(26,27)22(11-12-22)17-7-9-23(10-8-17)28-13-14-29-23/h1-6,15,17H,7-14H2.
What are the key properties of 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane?
8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 434.50 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[4-(2,4-difluorophenyl)phenyl]sulfonylcyclopropyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 166027392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).