(4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane

C3H4F6O4S2 — CID 15717519

IUPAC(4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane
SMILESCOS(F)(F)(F)(F)C1C(F)(F)OS1(=O)=O
InChIInChI=1S/C3H4F6O4S2/c1-12-15(6,7,8,9)2-3(4,5)13-14(2,10)11/h2H,1H3
InChIKeyIESRZGHKDKXNGE-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.24
Rot. Bonds2

About (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane

(4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane (PubChem CID 15717519) has the molecular formula C3H4F6O4S2 and a molecular weight of 282.18 g/mol. Its IUPAC name is (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane.

Molecular Properties

Compound Name(4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane
PubChem CID15717519
Molecular FormulaC3H4F6O4S2
Molecular Weight282.18 g/mol
Exact Mass281.95
IUPAC Name(4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane
SMILESCOS(F)(F)(F)(F)C1C(F)(F)OS1(=O)=O
InChIInChI=1S/C3H4F6O4S2/c1-12-15(6,7,8,9)2-3(4,5)13-14(2,10)11/h2H,1H3
InChIKeyIESRZGHKDKXNGE-UHFFFAOYSA-N
XLogP2.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4,4,5,5-tetrafluoro-1,1,3,3-tetraoxo-1,3-dithiolane-2-sulfinate
CID 59974328
(3S,3aS,6aR)-5-(3-chloro-5-fluoro-4-pyridinyl)-3-methoxy-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
CID 167771217
(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoropropanoate
CID 118068768
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
methyl 4,4-difluoro-2-(trifluoromethyl)cyclopentane-1-carboxylate
CID 167239486
2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide
CID 54541384
3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane
CID 18924374
4-fluoro-4-(trifluoromethyl)oxathietane 2,2-dioxide
CID 134896403
methyl (9R,10S,11S,12R)-pentacyclo[6.4.0.01,11.08,10.09,12]dodecane-9-carboxylate
CID 134887837
(2S)-9-methoxy-6,6-dimethyl-7-oxa-5-azatricyclo[6.4.0.02,5]dodecan-4-one
CID 15297916
(3-chloro-4,4-difluoro-2,2-dioxooxathietan-3-yl)-pentafluoro-lambda6-sulfane
CID 15717517
tert-butyl (4S)-4-(3,4-difluorophenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 125498249

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane?
The IUPAC name of (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane (CID 15717519) is (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane.
What is the SMILES notation for (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane?
The canonical SMILES for (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane is COS(F)(F)(F)(F)C1C(F)(F)OS1(=O)=O.
What is the InChIKey of (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane?
The InChIKey is IESRZGHKDKXNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F6O4S2/c1-12-15(6,7,8,9)2-3(4,5)13-14(2,10)11/h2H,1H3.
What are the key properties of (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane?
(4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane has a molecular weight of 282.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-2,2-dioxooxathietan-3-yl)-tetrafluoro-methoxy-lambda6-sulfane is sourced from PubChem (CID 15717519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).