8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane

C20H24F2O2 — CID 11559061

IUPAC8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
SMILESFc1ccc(C2=CCC(C3CCC4(CC3)OCCO4)CC2)cc1F
InChIInChI=1S/C20H24F2O2/c21-18-6-5-17(13-19(18)22)15-3-1-14(2-4-15)16-7-9-20(10-8-16)23-11-12-24-20/h3,5-6,13-14,16H,1-2,4,7-12H2
InChIKeyJLKCPVGXOVJEGN-UHFFFAOYSA-N
MW334.41 g/mol
LogP5.08
Rot. Bonds2

About 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane

8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane (PubChem CID 11559061) has the molecular formula C20H24F2O2 and a molecular weight of 334.41 g/mol. Its IUPAC name is 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
PubChem CID11559061
Molecular FormulaC20H24F2O2
Molecular Weight334.41 g/mol
Exact Mass334.17
IUPAC Name8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
SMILESFc1ccc(C2=CCC(C3CCC4(CC3)OCCO4)CC2)cc1F
InChIInChI=1S/C20H24F2O2/c21-18-6-5-17(13-19(18)22)15-3-1-14(2-4-15)16-7-9-20(10-8-16)23-11-12-24-20/h3,5-6,13-14,16H,1-2,4,7-12H2
InChIKeyJLKCPVGXOVJEGN-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane (CID 11559061) is 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane is Fc1ccc(C2=CCC(C3CCC4(CC3)OCCO4)CC2)cc1F.
What is the InChIKey of 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is JLKCPVGXOVJEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2O2/c21-18-6-5-17(13-19(18)22)15-3-1-14(2-4-15)16-7-9-20(10-8-16)23-11-12-24-20/h3,5-6,13-14,16H,1-2,4,7-12H2.
What are the key properties of 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 334.41 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11559061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).