4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide

C7F14O4S — CID 134882247

IUPAC4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14O4S/c8-2(9,5(16,17)18)6(19,20)24-7(21)1(3(10,11)12,4(13,14)15)26(22,23)25-7
InChIKeyHTSUZISEPVIWNN-UHFFFAOYSA-N
MW446.11 g/mol
LogP3.64
Rot. Bonds3

About 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide

4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide (PubChem CID 134882247) has the molecular formula C7F14O4S and a molecular weight of 446.11 g/mol. Its IUPAC name is 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide.

Molecular Properties

Compound Name4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide
PubChem CID134882247
Molecular FormulaC7F14O4S
Molecular Weight446.11 g/mol
Exact Mass445.93
IUPAC Name4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14O4S/c8-2(9,5(16,17)18)6(19,20)24-7(21)1(3(10,11)12,4(13,14)15)26(22,23)25-7
InChIKeyHTSUZISEPVIWNN-UHFFFAOYSA-N
XLogP3.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.11
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-3,4-bis(1,1,2,2,3,3,3-heptafluoropropoxy)oxathietane 2,2-dioxide
CID 134882125
4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 90337457
cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 97291005
4-fluoro-4-(trifluoromethyl)oxathietane 2,2-dioxide
CID 134896403
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
2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane
CID 59651421
difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane
CID 158763701
CID 175811708
CID 175811708
3,3,6-trimethyl-6-(trifluoromethyl)-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 130231783
(1R,2R,4S,5R,6R)-3,3,4-trifluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)tricyclo[4.2.1.02,5]non-7-ene
CID 124934393
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
3,4,4,5,5,6-hexafluoro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)cyclohexene
CID 151074158

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide?
The IUPAC name of 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide (CID 134882247) is 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide.
What is the SMILES notation for 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide?
The canonical SMILES for 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide is O=S1(=O)OC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide?
The InChIKey is HTSUZISEPVIWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14O4S/c8-2(9,5(16,17)18)6(19,20)24-7(21)1(3(10,11)12,4(13,14)15)26(22,23)25-7.
What are the key properties of 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide?
4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide has a molecular weight of 446.11 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide is sourced from PubChem (CID 134882247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).