2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone

C17H21FO2 — CID 79912806

IUPAC2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(Cc1ccccc1F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H21FO2/c18-15-6-2-1-5-13(15)11-16(19)14-7-10-20-17(12-14)8-3-4-9-17/h1-2,5-6,14H,3-4,7-12H2
InChIKeyNABPUXTZOJWGIK-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.68
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone

2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone (PubChem CID 79912806) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
PubChem CID79912806
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(Cc1ccccc1F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H21FO2/c18-15-6-2-1-5-13(15)11-16(19)14-7-10-20-17(12-14)8-3-4-9-17/h1-2,5-6,14H,3-4,7-12H2
InChIKeyNABPUXTZOJWGIK-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-(2-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909414
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921775
2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 115783947
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909417
(2,6-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909705
(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921615
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
2-(2-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203853

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone (CID 79912806) is 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone is O=C(Cc1ccccc1F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is NABPUXTZOJWGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c18-15-6-2-1-5-13(15)11-16(19)14-7-10-20-17(12-14)8-3-4-9-17/h1-2,5-6,14H,3-4,7-12H2.
What are the key properties of 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 276.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 79912806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).