8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane

C21H24F2O3 — CID 162715222

IUPAC8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCCCOc1ccc2cc(C3CCC4(CC3)OCCO4)c(F)c(F)c2c1
InChIInChI=1S/C21H24F2O3/c1-2-9-24-16-4-3-15-12-17(19(22)20(23)18(15)13-16)14-5-7-21(8-6-14)25-10-11-26-21/h3-4,12-14H,2,5-11H2,1H3
InChIKeyKNAOGYFBXHEULF-UHFFFAOYSA-N
MW362.42 g/mol
LogP5.31
Rot. Bonds4

About 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane

8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane (PubChem CID 162715222) has the molecular formula C21H24F2O3 and a molecular weight of 362.42 g/mol. Its IUPAC name is 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane
PubChem CID162715222
Molecular FormulaC21H24F2O3
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane
SMILESCCCOc1ccc2cc(C3CCC4(CC3)OCCO4)c(F)c(F)c2c1
InChIInChI=1S/C21H24F2O3/c1-2-9-24-16-4-3-15-12-17(19(22)20(23)18(15)13-16)14-5-7-21(8-6-14)25-10-11-26-21/h3-4,12-14H,2,5-11H2,1H3
InChIKeyKNAOGYFBXHEULF-UHFFFAOYSA-N
XLogP5.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane (CID 162715222) is 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane is CCCOc1ccc2cc(C3CCC4(CC3)OCCO4)c(F)c(F)c2c1.
What is the InChIKey of 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is KNAOGYFBXHEULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2O3/c1-2-9-24-16-4-3-15-12-17(19(22)20(23)18(15)13-16)14-5-7-21(8-6-14)25-10-11-26-21/h3-4,12-14H,2,5-11H2,1H3.
What are the key properties of 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane?
8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 362.42 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluoro-6-propoxynaphthalen-2-yl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 162715222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).