2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene

C8H9F5S — CID 54529781

IUPAC2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene
SMILESCC1(C)CC=C(C(F)(F)C(F)(F)F)S1
InChIInChI=1S/C8H9F5S/c1-6(2)4-3-5(14-6)7(9,10)8(11,12)13/h3H,4H2,1-2H3
InChIKeyYVRJHDJOILGUGM-UHFFFAOYSA-N
MW232.22 g/mol
LogP3.98
Rot. Bonds1

About 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene

2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene (PubChem CID 54529781) has the molecular formula C8H9F5S and a molecular weight of 232.22 g/mol. Its IUPAC name is 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene.

Molecular Properties

Compound Name2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene
PubChem CID54529781
Molecular FormulaC8H9F5S
Molecular Weight232.22 g/mol
Exact Mass232.03
IUPAC Name2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene
SMILESCC1(C)CC=C(C(F)(F)C(F)(F)F)S1
InChIInChI=1S/C8H9F5S/c1-6(2)4-3-5(14-6)7(9,10)8(11,12)13/h3H,4H2,1-2H3
InChIKeyYVRJHDJOILGUGM-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 53.98
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 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene?
The IUPAC name of 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene (CID 54529781) is 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene.
What is the SMILES notation for 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene?
The canonical SMILES for 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene is CC1(C)CC=C(C(F)(F)C(F)(F)F)S1.
What is the InChIKey of 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene?
The InChIKey is YVRJHDJOILGUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5S/c1-6(2)4-3-5(14-6)7(9,10)8(11,12)13/h3H,4H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene?
2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene has a molecular weight of 232.22 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)-3H-thiophene is sourced from PubChem (CID 54529781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).