[1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

C17H20FNO2S — CID 56764675

IUPAC[1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(N1CCC2(CC1)OCCS2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FNO2S/c18-14-3-1-13(2-4-14)16(5-6-16)15(20)19-9-7-17(8-10-19)21-11-12-22-17/h1-4H,5-12H2
InChIKeyWMOSZRCYKLULGU-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.94
Rot. Bonds2

About [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

[1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56764675) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56764675
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(N1CCC2(CC1)OCCS2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FNO2S/c18-14-3-1-13(2-4-14)16(5-6-16)15(20)19-9-7-17(8-10-19)21-11-12-22-17/h1-4H,5-12H2
InChIKeyWMOSZRCYKLULGU-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (CID 56764675) is [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is O=C(N1CCC2(CC1)OCCS2)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is WMOSZRCYKLULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c18-14-3-1-13(2-4-14)16(5-6-16)15(20)19-9-7-17(8-10-19)21-11-12-22-17/h1-4H,5-12H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
[1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56764675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).