3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene

C11H5F13OS — CID 46934302

IUPAC3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ccsc1
InChIInChI=1S/C11H5F13OS/c12-6(13,4-25-5-1-2-26-3-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-3H,4H2
InChIKeyAKBATUNDEXTNBC-UHFFFAOYSA-N
MW432.20 g/mol
LogP5.87
Rot. Bonds7

About 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene

3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene (PubChem CID 46934302) has the molecular formula C11H5F13OS and a molecular weight of 432.20 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene
PubChem CID46934302
Molecular FormulaC11H5F13OS
Molecular Weight432.20 g/mol
Exact Mass431.99
IUPAC Name3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ccsc1
InChIInChI=1S/C11H5F13OS/c12-6(13,4-25-5-1-2-26-3-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-3H,4H2
InChIKeyAKBATUNDEXTNBC-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.20
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)-4-[[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phenyl]-phenylphosphoryl]benzene
CID 10887655
4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)-2,6-dimethylphenol
CID 118215227
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-thiophen-3-ylnonan-1-ol
CID 11091777
2-fluoro-4-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phenyl]benzonitrile
CID 101497715
1-[4-[4-[3,5-bis(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]phenyl]phenyl]-3,5-bis(2,2,3,3,3-pentafluoropropoxy)benzene
CID 167303520
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxybenzene
CID 86232636
CID 158938378
CID 158938378
4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine
CID 24769912
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane
CID 71669115
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene?
The IUPAC name of 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene (CID 46934302) is 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene.
What is the SMILES notation for 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene?
The canonical SMILES for 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ccsc1.
What is the InChIKey of 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene?
The InChIKey is AKBATUNDEXTNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F13OS/c12-6(13,4-25-5-1-2-26-3-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-3H,4H2.
What are the key properties of 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene?
3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene has a molecular weight of 432.20 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene is sourced from PubChem (CID 46934302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).