2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one

C11H14F4O2S — CID 114032513

IUPAC2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
SMILESO=C(C1CCOC2(CCSC2)C1)C(F)(F)C(F)F
InChIInChI=1S/C11H14F4O2S/c12-9(13)11(14,15)8(16)7-1-3-17-10(5-7)2-4-18-6-10/h7,9H,1-6H2
InChIKeyRWFCJQZMRIUKFW-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.76
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one (PubChem CID 114032513) has the molecular formula C11H14F4O2S and a molecular weight of 286.29 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
PubChem CID114032513
Molecular FormulaC11H14F4O2S
Molecular Weight286.29 g/mol
Exact Mass286.07
IUPAC Name2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
SMILESO=C(C1CCOC2(CCSC2)C1)C(F)(F)C(F)F
InChIInChI=1S/C11H14F4O2S/c12-9(13)11(14,15)8(16)7-1-3-17-10(5-7)2-4-18-6-10/h7,9H,1-6H2
InChIKeyRWFCJQZMRIUKFW-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 116564038
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
(5-ethylthiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788169
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 79906886
1,4-dithian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79971334

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one (CID 114032513) is 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one is O=C(C1CCOC2(CCSC2)C1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The InChIKey is RWFCJQZMRIUKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O2S/c12-9(13)11(14,15)8(16)7-1-3-17-10(5-7)2-4-18-6-10/h7,9H,1-6H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one has a molecular weight of 286.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one is sourced from PubChem (CID 114032513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).