8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene

C17H20F2O3 — CID 139776716

IUPAC8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCCOc1ccc(C2=CCC3(CC2)OCCO3)c(F)c1F
InChIInChI=1S/C17H20F2O3/c1-2-9-20-14-4-3-13(15(18)16(14)19)12-5-7-17(8-6-12)21-10-11-22-17/h3-5H,2,6-11H2,1H3
InChIKeyQDZFUWPLFJBJQJ-UHFFFAOYSA-N
MW310.34 g/mol
LogP4.06
Rot. Bonds4

About 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 139776716) has the molecular formula C17H20F2O3 and a molecular weight of 310.34 g/mol. Its IUPAC name is 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID139776716
Molecular FormulaC17H20F2O3
Molecular Weight310.34 g/mol
Exact Mass310.14
IUPAC Name8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCCOc1ccc(C2=CCC3(CC2)OCCO3)c(F)c1F
InChIInChI=1S/C17H20F2O3/c1-2-9-20-14-4-3-13(15(18)16(14)19)12-5-7-17(8-6-12)21-10-11-22-17/h3-5H,2,6-11H2,1H3
InChIKeyQDZFUWPLFJBJQJ-UHFFFAOYSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 139776716) is 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene is CCCOc1ccc(C2=CCC3(CC2)OCCO3)c(F)c1F.
What is the InChIKey of 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is QDZFUWPLFJBJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2O3/c1-2-9-20-14-4-3-13(15(18)16(14)19)12-5-7-17(8-6-12)21-10-11-22-17/h3-5H,2,6-11H2,1H3.
What are the key properties of 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 310.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-difluoro-4-propoxyphenyl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 139776716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).