1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol

C7H4F6OS — CID 19022266

IUPAC1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol
SMILESOC(c1cccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F6OS/c8-6(9,10)5(14,7(11,12)13)4-2-1-3-15-4/h1-3,14H
InChIKeyKGZKDTLMIOPAKW-UHFFFAOYSA-N
MW250.16 g/mol
LogP3.06
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol

1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol (PubChem CID 19022266) has the molecular formula C7H4F6OS and a molecular weight of 250.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol
PubChem CID19022266
Molecular FormulaC7H4F6OS
Molecular Weight250.16 g/mol
Exact Mass249.99
IUPAC Name1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol
SMILESOC(c1cccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F6OS/c8-6(9,10)5(14,7(11,12)13)4-2-1-3-15-4/h1-3,14H
InChIKeyKGZKDTLMIOPAKW-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol (CID 19022266) is 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol is OC(c1cccs1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol?
The InChIKey is KGZKDTLMIOPAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6OS/c8-6(9,10)5(14,7(11,12)13)4-2-1-3-15-4/h1-3,14H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol?
1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol has a molecular weight of 250.16 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 19022266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).