3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane

C2H2F4O3S — CID 53411940

IUPAC3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane
SMILESOS1(O)OC(F)(F)C1(F)F
InChIInChI=1S/C2H2F4O3S/c3-1(4)2(5,6)10(7,8)9-1/h7-8H
InChIKeyXUMSZNAVMCTOGX-UHFFFAOYSA-N
MW182.09 g/mol
LogP1.87
Rot. Bonds

About 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane

3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane (PubChem CID 53411940) has the molecular formula C2H2F4O3S and a molecular weight of 182.09 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane
PubChem CID53411940
Molecular FormulaC2H2F4O3S
Molecular Weight182.09 g/mol
Exact Mass181.97
IUPAC Name3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane
SMILESOS1(O)OC(F)(F)C1(F)F
InChIInChI=1S/C2H2F4O3S/c3-1(4)2(5,6)10(7,8)9-1/h7-8H
InChIKeyXUMSZNAVMCTOGX-UHFFFAOYSA-N
XLogP1.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 123700396
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CID 58781638
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533
3,4,4-trifluoro-3-(2,3,3-trifluoroprop-2-enyl)oxathietane 2,2-dioxide
CID 58758037
4-chloro-4,5,5-trifluoro-1,3,2-dioxathiolane 2,2-dioxide
CID 158657256
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
3,4,4-trifluoro-3-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide
CID 14203451
lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
CID 14123337
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2,2,3-trifluoro-3-methyloxirane
CID 22289961
(3-chloro-4,4-difluoro-2,2-dioxooxathietan-3-yl)-pentafluoro-lambda6-sulfane
CID 15717517

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane?
The IUPAC name of 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane (CID 53411940) is 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane.
What is the SMILES notation for 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane?
The canonical SMILES for 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane is OS1(O)OC(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane?
The InChIKey is XUMSZNAVMCTOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O3S/c3-1(4)2(5,6)10(7,8)9-1/h7-8H.
What are the key properties of 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane?
3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane has a molecular weight of 182.09 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane is sourced from PubChem (CID 53411940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).