2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene

C12H3F17S — CID 10601524

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccs1
InChIInChI=1S/C12H3F17S/c13-5(14,4-2-1-3-30-4)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-3H
InChIKeyJEHFODHLGGKHGC-UHFFFAOYSA-N
MW502.19 g/mol
LogP7.21
Rot. Bonds7

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene (PubChem CID 10601524) has the molecular formula C12H3F17S and a molecular weight of 502.19 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
PubChem CID10601524
Molecular FormulaC12H3F17S
Molecular Weight502.19 g/mol
Exact Mass501.97
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccs1
InChIInChI=1S/C12H3F17S/c13-5(14,4-2-1-3-30-4)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-3H
InChIKeyJEHFODHLGGKHGC-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.19
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene with MolForge

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Related Compounds

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene
CID 14400022
2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thiophene
CID 15711447
2-[chloro(difluoro)methyl]thiophene
CID 15727491
3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 116839610
2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine
CID 83107390
3-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
CID 10480326
2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511306
1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene
CID 138676934
(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
CID 95011095
1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-ol
CID 162511359
2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol
CID 162511519
4,4,4-trifluoro-3-hydroxy-3-thiophen-2-ylbutan-2-one
CID 71067149

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene (CID 10601524) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccs1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene?
The InChIKey is JEHFODHLGGKHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F17S/c13-5(14,4-2-1-3-30-4)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-3H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene?
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene has a molecular weight of 502.19 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene is sourced from PubChem (CID 10601524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).