(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

C15H16F2O2S — CID 79922329

IUPAC(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(F)cc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H16F2O2S/c16-11-1-2-12(13(17)7-11)14(18)10-3-5-19-15(8-10)4-6-20-9-15/h1-2,7,10H,3-6,8-9H2
InChIKeyCZCISSFUSKAPMX-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.45
Rot. Bonds2

About (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 79922329) has the molecular formula C15H16F2O2S and a molecular weight of 298.35 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID79922329
Molecular FormulaC15H16F2O2S
Molecular Weight298.35 g/mol
Exact Mass298.08
IUPAC Name(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc(F)cc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H16F2O2S/c16-11-1-2-12(13(17)7-11)14(18)10-3-5-19-15(8-10)4-6-20-9-15/h1-2,7,10H,3-6,8-9H2
InChIKeyCZCISSFUSKAPMX-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921860
(2-fluoro-4-methoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 81299046
(2,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788211
(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921615
(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79912433
(2-fluoro-4-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787768
furan-3-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921246
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
(2-amino-5-methoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116602697
6-oxa-2-thiaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone
CID 102923198
(3-iodophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788182

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 79922329) is (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is O=C(c1ccc(F)cc1F)C1CCOC2(CCSC2)C1.
What is the InChIKey of (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is CZCISSFUSKAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O2S/c16-11-1-2-12(13(17)7-11)14(18)10-3-5-19-15(8-10)4-6-20-9-15/h1-2,7,10H,3-6,8-9H2.
What are the key properties of (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 79922329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).