1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole

C16H18FNO2 — CID 69269414

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole
SMILESFc1cccc2c1ccn2C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18FNO2/c17-14-2-1-3-15-13(14)6-9-18(15)12-4-7-16(8-5-12)19-10-11-20-16/h1-3,6,9,12H,4-5,7-8,10-11H2
InChIKeyZYFKWBRCUJZPEN-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.64
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole

1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole (PubChem CID 69269414) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole
PubChem CID69269414
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole
SMILESFc1cccc2c1ccn2C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18FNO2/c17-14-2-1-3-15-13(14)6-9-18(15)12-4-7-16(8-5-12)19-10-11-20-16/h1-3,6,9,12H,4-5,7-8,10-11H2
InChIKeyZYFKWBRCUJZPEN-UHFFFAOYSA-N
XLogP3.64
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole (CID 69269414) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole is Fc1cccc2c1ccn2C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole?
The InChIKey is ZYFKWBRCUJZPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-14-2-1-3-15-13(14)6-9-18(15)12-4-7-16(8-5-12)19-10-11-20-16/h1-3,6,9,12H,4-5,7-8,10-11H2.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole has a molecular weight of 275.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluoroindole is sourced from PubChem (CID 69269414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).