3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole

C16H18FNO2 — CID 10564325

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C16H18FNO2/c17-12-1-2-15-13(9-12)14(10-18-15)11-3-5-16(6-4-11)19-7-8-20-16/h1-2,9-11,18H,3-8H2
InChIKeyXPSUEXDKSKXHDM-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.71
Rot. Bonds1

About 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole

3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole (PubChem CID 10564325) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole
PubChem CID10564325
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C16H18FNO2/c17-12-1-2-15-13(9-12)14(10-18-15)11-3-5-16(6-4-11)19-7-8-20-16/h1-2,9-11,18H,3-8H2
InChIKeyXPSUEXDKSKXHDM-UHFFFAOYSA-N
XLogP3.71
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole (CID 10564325) is 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole is Fc1ccc2[nH]cc(C3CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole?
The InChIKey is XPSUEXDKSKXHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-12-1-2-15-13(9-12)14(10-18-15)11-3-5-16(6-4-11)19-7-8-20-16/h1-2,9-11,18H,3-8H2.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole?
3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole has a molecular weight of 275.32 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-1H-indole is sourced from PubChem (CID 10564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).