1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol

C10H4F12O2S — CID 23528239

IUPAC1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol
SMILESOC(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F12O2S/c11-7(12,13)5(23,8(14,15)16)3-1-2-4(25-3)6(24,9(17,18)19)10(20,21)22/h1-2,23-24H
InChIKeyDLMZORZHDOOGNW-UHFFFAOYSA-N
MW416.18 g/mol
LogP4.37
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol (PubChem CID 23528239) has the molecular formula C10H4F12O2S and a molecular weight of 416.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol
PubChem CID23528239
Molecular FormulaC10H4F12O2S
Molecular Weight416.18 g/mol
Exact Mass415.97
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol
SMILESOC(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F12O2S/c11-7(12,13)5(23,8(14,15)16)3-1-2-4(25-3)6(24,9(17,18)19)10(20,21)22/h1-2,23-24H
InChIKeyDLMZORZHDOOGNW-UHFFFAOYSA-N
XLogP4.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.18
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol (CID 23528239) is 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol is OC(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol?
The InChIKey is DLMZORZHDOOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F12O2S/c11-7(12,13)5(23,8(14,15)16)3-1-2-4(25-3)6(24,9(17,18)19)10(20,21)22/h1-2,23-24H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol has a molecular weight of 416.18 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-2-yl]propan-2-ol is sourced from PubChem (CID 23528239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).