3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene

C10H3F13S — CID 14492193

IUPAC3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccsc1
InChIInChI=1S/C10H3F13S/c11-5(12,4-1-2-24-3-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-3H
InChIKeyLETXBCZWFVRELS-UHFFFAOYSA-N
MW402.18 g/mol
LogP5.94
Rot. Bonds5

About 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene

3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene (PubChem CID 14492193) has the molecular formula C10H3F13S and a molecular weight of 402.18 g/mol. Its IUPAC name is 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene.

Molecular Properties

Compound Name3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
PubChem CID14492193
Molecular FormulaC10H3F13S
Molecular Weight402.18 g/mol
Exact Mass401.97
IUPAC Name3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccsc1
InChIInChI=1S/C10H3F13S/c11-5(12,4-1-2-24-3-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-3H
InChIKeyLETXBCZWFVRELS-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.18
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene?
The IUPAC name of 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene (CID 14492193) is 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene.
What is the SMILES notation for 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene?
The canonical SMILES for 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccsc1.
What is the InChIKey of 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene?
The InChIKey is LETXBCZWFVRELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F13S/c11-5(12,4-1-2-24-3-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-3H.
What are the key properties of 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene?
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene has a molecular weight of 402.18 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene is sourced from PubChem (CID 14492193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).