3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one

C16H20FNO2S — CID 71806927

IUPAC3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCC2(CC1)OCCS2
InChIInChI=1S/C16H20FNO2S/c17-14-4-2-1-3-13(14)5-6-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h1-4H,5-12H2
InChIKeyUVIWBZURXXYWES-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.84
Rot. Bonds3

About 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one

3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 71806927) has the molecular formula C16H20FNO2S and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID71806927
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC Name3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCC2(CC1)OCCS2
InChIInChI=1S/C16H20FNO2S/c17-14-4-2-1-3-13(14)5-6-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h1-4H,5-12H2
InChIKeyUVIWBZURXXYWES-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-[(2-fluorophenyl)methylsulfonyl]propan-1-one
CID 4173906
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-[(2-fluorophenyl)methylsulfanyl]propan-1-one
CID 20967503
4-[3-(2-Fluorophenyl)-3-phenylpropanoyl]thiomorpholine
CID 45228273
(2,4-Difluorophenyl)(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 56764630
(1,1-Dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
CID 56816036
3-[(3R)-3-(2-fluorophenyl)-3-prop-2-enylsulfanylpropanoyl]-1,3-oxazolidin-2-one
CID 134999682
(2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone
CID 162416857
2-(4-(Isopropylthio)phenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56764664
2-(1,1-dioxidotetrahydro-3-thienyl)-N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methylacetamide
CID 45177259
4-Ethoxy-1-{3-[(4-fluorobenzyl)thio]propanoyl}piperidine
CID 50971180
(1-(4-Fluorophenyl)cyclopropyl)(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 56764675
2-(4-Fluorophenyl)-1-(3-(morpholinomethyl)-1,4-thiazepan-4-yl)ethanone
CID 71801867

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 71806927) is 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one is O=C(CCc1ccccc1F)N1CCC2(CC1)OCCS2.
What is the InChIKey of 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is UVIWBZURXXYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2S/c17-14-4-2-1-3-13(14)5-6-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h1-4H,5-12H2.
What are the key properties of 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one?
3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 71806927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).