2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene

C13H3F19S — CID 14400022

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)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)C(F)(F)c1cccs1
InChIInChI=1S/C13H3F19S/c14-5(15,4-2-1-3-33-4)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)32/h1-3H
InChIKeyRUXCXIBQCQJGNZ-UHFFFAOYSA-N
MW552.20 g/mol
LogP7.85
Rot. Bonds8

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene (PubChem CID 14400022) has the molecular formula C13H3F19S and a molecular weight of 552.20 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene
PubChem CID14400022
Molecular FormulaC13H3F19S
Molecular Weight552.20 g/mol
Exact Mass551.97
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)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)C(F)(F)c1cccs1
InChIInChI=1S/C13H3F19S/c14-5(15,4-2-1-3-33-4)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)32/h1-3H
InChIKeyRUXCXIBQCQJGNZ-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.20
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
CID 10601524
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
2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol
CID 162511519
1-(3-chlorophenyl)-2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-ol
CID 162511359
4,4,4-trifluoro-3-hydroxy-3-thiophen-2-ylbutan-2-one
CID 71067149

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene (CID 14400022) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)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)C(F)(F)c1cccs1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene?
The InChIKey is RUXCXIBQCQJGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3F19S/c14-5(15,4-2-1-3-33-4)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)32/h1-3H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene?
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene has a molecular weight of 552.20 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene is sourced from PubChem (CID 14400022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).