2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone

C15H17ClFNO2S — CID 71806919

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H17ClFNO2S/c16-12-2-1-3-13(17)11(12)10-14(19)18-6-4-15(5-7-18)20-8-9-21-15/h1-3H,4-10H2
InChIKeyQFCVBEAWUISKIS-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.10
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 71806919) has the molecular formula C15H17ClFNO2S and a molecular weight of 329.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID71806919
Molecular FormulaC15H17ClFNO2S
Molecular Weight329.82 g/mol
Exact Mass329.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H17ClFNO2S/c16-12-2-1-3-13(17)11(12)10-14(19)18-6-4-15(5-7-18)20-8-9-21-15/h1-3H,4-10H2
InChIKeyQFCVBEAWUISKIS-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone (CID 71806919) is 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(Cc1c(F)cccc1Cl)N1CCC2(CC1)OCCS2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is QFCVBEAWUISKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2S/c16-12-2-1-3-13(17)11(12)10-14(19)18-6-4-15(5-7-18)20-8-9-21-15/h1-3H,4-10H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 329.82 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 71806919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).