2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

C16H18F2O2 — CID 115783947

IUPAC2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H18F2O2/c17-13-3-2-11(8-14(13)18)9-15(19)12-4-7-20-16(10-12)5-1-6-16/h2-3,8,12H,1,4-7,9-10H2
InChIKeyQLPXOFVHWYXGPZ-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.43
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 115783947) has the molecular formula C16H18F2O2 and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
PubChem CID115783947
Molecular FormulaC16H18F2O2
Molecular Weight280.31 g/mol
Exact Mass280.13
IUPAC Name2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H18F2O2/c17-13-3-2-11(8-14(13)18)9-15(19)12-4-7-20-16(10-12)5-1-6-16/h2-3,8,12H,1,4-7,9-10H2
InChIKeyQLPXOFVHWYXGPZ-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79912806
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921775
2-(4-chlorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
CID 79913122
2-(3,4-dimethylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79908876
(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921615
2-(2-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909414
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(4-methylphenyl)ethanone
CID 79921686
(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (CID 115783947) is 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is O=C(Cc1ccc(F)c(F)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is QLPXOFVHWYXGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O2/c17-13-3-2-11(8-14(13)18)9-15(19)12-4-7-20-16(10-12)5-1-6-16/h2-3,8,12H,1,4-7,9-10H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 280.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 115783947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).