1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol

C8H6F6O2S — CID 10779091

IUPAC1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol
SMILESOC(C(F)(F)F)C(O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C8H6F6O2S/c9-7(10,11)5(15)6(16,8(12,13)14)4-2-1-3-17-4/h1-3,5,15-16H
InChIKeyGYDITZIJARFSHU-UHFFFAOYSA-N
MW280.19 g/mol
LogP2.42
Rot. Bonds2

About 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol

1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol (PubChem CID 10779091) has the molecular formula C8H6F6O2S and a molecular weight of 280.19 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol
PubChem CID10779091
Molecular FormulaC8H6F6O2S
Molecular Weight280.19 g/mol
Exact Mass280.00
IUPAC Name1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol
SMILESOC(C(F)(F)F)C(O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C8H6F6O2S/c9-7(10,11)5(15)6(16,8(12,13)14)4-2-1-3-17-4/h1-3,5,15-16H
InChIKeyGYDITZIJARFSHU-UHFFFAOYSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol with MolForge

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Related Compounds

(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
CID 95011095
2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 10954147
4,4,4-trifluoro-3-hydroxy-3-thiophen-2-ylbutan-2-one
CID 71067149
2-[chloro(difluoro)methyl]thiophene
CID 15727491
(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
CID 66989083
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene
CID 14400022
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
CID 10601524
(2S)-3-cyclobutylidene-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
CID 163132831
2,2,3,3,3-pentafluoro-1-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511306
copper;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol;bis(triphenylphosphanium)
CID 6394941
1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one
CID 14717701
2-hydroxy-2,2-dithiophen-2-ylacetic acid;hydrate
CID 141178133

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol (CID 10779091) is 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol is OC(C(F)(F)F)C(O)(c1cccs1)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol?
The InChIKey is GYDITZIJARFSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O2S/c9-7(10,11)5(15)6(16,8(12,13)14)4-2-1-3-17-4/h1-3,5,15-16H.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol?
1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol has a molecular weight of 280.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol is sourced from PubChem (CID 10779091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).