(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

C16H19FO2S — CID 79912433

IUPAC(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H19FO2S/c17-14-3-1-12(2-4-14)15(18)13-5-8-19-16(11-13)6-9-20-10-7-16/h1-4,13H,5-11H2
InChIKeyZIZATYRVPGWFRG-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.70
Rot. Bonds2

About (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (PubChem CID 79912433) has the molecular formula C16H19FO2S and a molecular weight of 294.39 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
PubChem CID79912433
Molecular FormulaC16H19FO2S
Molecular Weight294.39 g/mol
Exact Mass294.11
IUPAC Name(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H19FO2S/c17-14-3-1-12(2-4-14)15(18)13-5-8-19-16(11-13)6-9-20-10-7-16/h1-4,13H,5-11H2
InChIKeyZIZATYRVPGWFRG-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 81494502
(4-amino-3-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116581898
(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79922329
(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 115788319
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 106754728
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-2-yl)methanone
CID 79912888
(1-methylpyrazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79922079
(3-chloro-5-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 115788360
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921246

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (CID 79912433) is (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is O=C(c1ccc(F)cc1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is ZIZATYRVPGWFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2S/c17-14-3-1-12(2-4-14)15(18)13-5-8-19-16(11-13)6-9-20-10-7-16/h1-4,13H,5-11H2.
What are the key properties of (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 294.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 79912433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).