2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one

C17H5F17O3S2 — CID 21093217

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one
SMILESO=C(c1ccc(-c2cccs2)s1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H5F17O3S2/c18-10(13(22,23)24,9(35)8-4-3-7(39-8)6-2-1-5-38-6)36-17(33,34)12(21,15(28,29)30)37-16(31,32)11(19,20)14(25,26)27/h1-5H
InChIKeySJOSNXFDPCMBBN-UHFFFAOYSA-N
MW644.32 g/mol
LogP8.53
Rot. Bonds9

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one (PubChem CID 21093217) has the molecular formula C17H5F17O3S2 and a molecular weight of 644.32 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one
PubChem CID21093217
Molecular FormulaC17H5F17O3S2
Molecular Weight644.32 g/mol
Exact Mass643.94
IUPAC Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one
SMILESO=C(c1ccc(-c2cccs2)s1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H5F17O3S2/c18-10(13(22,23)24,9(35)8-4-3-7(39-8)6-2-1-5-38-6)36-17(33,34)12(21,15(28,29)30)37-16(31,32)11(19,20)14(25,26)27/h1-5H
InChIKeySJOSNXFDPCMBBN-UHFFFAOYSA-N
XLogP8.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.32
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one (CID 21093217) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one is O=C(c1ccc(-c2cccs2)s1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one?
The InChIKey is SJOSNXFDPCMBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H5F17O3S2/c18-10(13(22,23)24,9(35)8-4-3-7(39-8)6-2-1-5-38-6)36-17(33,34)12(21,15(28,29)30)37-16(31,32)11(19,20)14(25,26)27/h1-5H.
What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one has a molecular weight of 644.32 g/mol, XLogP of 8.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-(5-thiophen-2-ylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 21093217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).