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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Related Compounds

8-(4-ethoxy-2,3-difluorophenyl)-1,4-dioxaspiro[4.5]decan-7-ol;8-(4-ethoxy-2,3-difluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 157103809
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
1-butoxy-4-[4-(2,3-difluoro-4-octoxyphenyl)cyclohexa-1,4-dien-1-yl]-2,3-difluorobenzene
CID 141293741
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 91004379
CID 177267220
CID 177267220
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
1-[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67739921
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 142297541
1-(4-but-1-enylcyclohexen-1-yl)-2,3-difluoro-4-pentoxybenzene
CID 76631780
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 90128779

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).