1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol

C13H8F6OS — CID 102004321

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol
SMILESOC(c1ccc(-c2cccs2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H8F6OS/c14-12(15,16)11(20,13(17,18)19)9-5-3-8(4-6-9)10-2-1-7-21-10/h1-7,20H
InChIKeyKRGKTAXURNFQII-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.73
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol (PubChem CID 102004321) has the molecular formula C13H8F6OS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol
PubChem CID102004321
Molecular FormulaC13H8F6OS
Molecular Weight326.26 g/mol
Exact Mass326.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol
SMILESOC(c1ccc(-c2cccs2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H8F6OS/c14-12(15,16)11(20,13(17,18)19)9-5-3-8(4-6-9)10-2-1-7-21-10/h1-7,20H
InChIKeyKRGKTAXURNFQII-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.73
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-(4-thiophen-2-ylphenyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol (CID 102004321) is 1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol is OC(c1ccc(-c2cccs2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol?
The InChIKey is KRGKTAXURNFQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6OS/c14-12(15,16)11(20,13(17,18)19)9-5-3-8(4-6-9)10-2-1-7-21-10/h1-7,20H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol has a molecular weight of 326.26 g/mol, XLogP of 4.73, 2 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-(4-thiophen-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 102004321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).