1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate

C7F14O4S — CID 134925930

IUPAC1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate
SMILESO=C(OC(F)(F)C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C7F14O4S/c8-3(9,6(16,17)18)7(19,20)25-1(22)2(4(10,11)12,5(13,14)15)26(21,23)24
InChIKeyDSRRPGQAEOPXAX-UHFFFAOYSA-N
MW446.11 g/mol
LogP3.48
Rot. Bonds4

About 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate

1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate (PubChem CID 134925930) has the molecular formula C7F14O4S and a molecular weight of 446.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate
PubChem CID134925930
Molecular FormulaC7F14O4S
Molecular Weight446.11 g/mol
Exact Mass445.93
IUPAC Name1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate
SMILESO=C(OC(F)(F)C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C7F14O4S/c8-3(9,6(16,17)18)7(19,20)25-1(22)2(4(10,11)12,5(13,14)15)26(21,23)24
InChIKeyDSRRPGQAEOPXAX-UHFFFAOYSA-N
XLogP3.48
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.11
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 134925931
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl 2,2,2-trifluoroacetate
CID 11039479
2-fluoro-2-fluorosulfonyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetyl fluoride
CID 134926549
[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 11548624
1,1,1,4,4,4-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-oxobutane-2-sulfonyl fluoride
CID 134926635
1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
CID 23432502
1,1,2,2,3,3,3-heptafluoropropyl 3-fluoro-3-oxopropanoate
CID 173484159
[1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)decyl] 2,2,2-trifluoroacetate
CID 15353743
[1,1,2,2,4,4,5,5,5-nonafluoro-3,3-bis(trifluoromethyl)pentyl] carbonate
CID 154502767
1,1,2,2,2-pentafluoroethyl 2,2-difluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)acetate
CID 174348525
bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl) but-2-enedioate
CID 173040296
bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) propanedioate
CID 162538080

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate (CID 134925930) is 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate is O=C(OC(F)(F)C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)S(=O)(=O)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate?
The InChIKey is DSRRPGQAEOPXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14O4S/c8-3(9,6(16,17)18)7(19,20)25-1(22)2(4(10,11)12,5(13,14)15)26(21,23)24.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate?
1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate has a molecular weight of 446.11 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 134925930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).