1,1,1,1,2,2-hexafluoro-3H-thiophene

C4H4F6S — CID 154170459

IUPAC1,1,1,1,2,2-hexafluoro-3H-thiophene
SMILESFC1(F)CC=CS1(F)(F)(F)F
InChIInChI=1S/C4H4F6S/c5-4(6)2-1-3-11(4,7,8,9)10/h1,3H,2H2
InChIKeyICYZVQZHBWUZJO-UHFFFAOYSA-N
MW198.13 g/mol
LogP3.91
Rot. Bonds

About 1,1,1,1,2,2-hexafluoro-3H-thiophene

1,1,1,1,2,2-hexafluoro-3H-thiophene (PubChem CID 154170459) has the molecular formula C4H4F6S and a molecular weight of 198.13 g/mol. Its IUPAC name is 1,1,1,1,2,2-hexafluoro-3H-thiophene.

Molecular Properties

Compound Name1,1,1,1,2,2-hexafluoro-3H-thiophene
PubChem CID154170459
Molecular FormulaC4H4F6S
Molecular Weight198.13 g/mol
Exact Mass197.99
IUPAC Name1,1,1,1,2,2-hexafluoro-3H-thiophene
SMILESFC1(F)CC=CS1(F)(F)(F)F
InChIInChI=1S/C4H4F6S/c5-4(6)2-1-3-11(4,7,8,9)10/h1,3H,2H2
InChIKeyICYZVQZHBWUZJO-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,1,2,2-hexafluoro-3H-thiophene?
The IUPAC name of 1,1,1,1,2,2-hexafluoro-3H-thiophene (CID 154170459) is 1,1,1,1,2,2-hexafluoro-3H-thiophene.
What is the SMILES notation for 1,1,1,1,2,2-hexafluoro-3H-thiophene?
The canonical SMILES for 1,1,1,1,2,2-hexafluoro-3H-thiophene is FC1(F)CC=CS1(F)(F)(F)F.
What is the InChIKey of 1,1,1,1,2,2-hexafluoro-3H-thiophene?
The InChIKey is ICYZVQZHBWUZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6S/c5-4(6)2-1-3-11(4,7,8,9)10/h1,3H,2H2.
What are the key properties of 1,1,1,1,2,2-hexafluoro-3H-thiophene?
1,1,1,1,2,2-hexafluoro-3H-thiophene has a molecular weight of 198.13 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,1,2,2-hexafluoro-3H-thiophene is sourced from PubChem (CID 154170459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).