2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene

C8H3F9S — CID 13383169

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccs1
InChIInChI=1S/C8H3F9S/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-3H
InChIKeyKKXHYYMDJMMUQM-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.67
Rot. Bonds3

About 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene (PubChem CID 13383169) has the molecular formula C8H3F9S and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene
PubChem CID13383169
Molecular FormulaC8H3F9S
Molecular Weight302.16 g/mol
Exact Mass301.98
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccs1
InChIInChI=1S/C8H3F9S/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-3H
InChIKeyKKXHYYMDJMMUQM-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.67
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 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene (CID 13383169) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccs1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene?
The InChIKey is KKXHYYMDJMMUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F9S/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-3H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene has a molecular weight of 302.16 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)thiophene is sourced from PubChem (CID 13383169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).