2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

C16H18ClFO2 — CID 79921775

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H18ClFO2/c17-13-3-1-4-14(18)12(13)9-15(19)11-5-8-20-16(10-11)6-2-7-16/h1,3-4,11H,2,5-10H2
InChIKeyJGJGXFHUOCNSEN-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.94
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 79921775) has the molecular formula C16H18ClFO2 and a molecular weight of 296.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
PubChem CID79921775
Molecular FormulaC16H18ClFO2
Molecular Weight296.77 g/mol
Exact Mass296.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H18ClFO2/c17-13-3-1-4-14(18)12(13)9-15(19)11-5-8-20-16(10-11)6-2-7-16/h1,3-4,11H,2,5-10H2
InChIKeyJGJGXFHUOCNSEN-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.94
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
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 115783947
(2-chloro-6-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784651
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
2-(2-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909414
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-(2-chloro-6-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 55047758
(2,6-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909705
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
2-(2-chloro-6-fluorophenyl)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 72884255

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (CID 79921775) is 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is O=C(Cc1c(F)cccc1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is JGJGXFHUOCNSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFO2/c17-13-3-1-4-14(18)12(13)9-15(19)11-5-8-20-16(10-11)6-2-7-16/h1,3-4,11H,2,5-10H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 296.77 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 79921775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).