1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol

C8H6F6OS — CID 90347131

IUPAC1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol
SMILESOC(C(c1ccsc1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F6OS/c9-7(10,11)5(4-1-2-16-3-4)6(15)8(12,13)14/h1-3,5-6,15H
InChIKeyRWXXIHDHYIDDNM-UHFFFAOYSA-N
MW264.19 g/mol
LogP3.32
Rot. Bonds2

About 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol

1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol (PubChem CID 90347131) has the molecular formula C8H6F6OS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol
PubChem CID90347131
Molecular FormulaC8H6F6OS
Molecular Weight264.19 g/mol
Exact Mass264.00
IUPAC Name1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol
SMILESOC(C(c1ccsc1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F6OS/c9-7(10,11)5(4-1-2-16-3-4)6(15)8(12,13)14/h1-3,5-6,15H
InChIKeyRWXXIHDHYIDDNM-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol with MolForge

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Related Compounds

1-(Thiophen-3-yl)propan-2-ol
CID 22901911
(2s)-1-(Thiophen-3-yl)propan-2-ol
CID 75406823
3-Methyl-1-(thiophen-3-yl)butan-2-ol
CID 62605936
(1S,2R)-2-fluoro-1-(thiophen-3-yl)-2-(trifluoromethyl)but-3-en-1-ol
CID 165415754
2,2,2-Trifluoro-1-(thiophen-3-yl)ethanol
CID 61644908
2-(5-Fluorothiophen-3-yl)ethanol
CID 67481975
2-(5-(Trifluoromethyl)thiophen-3-yl)ethanol
CID 83674800
3-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexoxy)ethyl]thiophene
CID 89903705
4,4,4-Trifluoro-3-thiophen-3-ylbutan-2-ol
CID 118634143
1,1,1-Trifluoro-3-thiophen-3-ylbutan-2-ol
CID 118634148
2,2,3,3,3-Pentafluoro-1-thiophen-3-ylpropan-1-ol
CID 126971202
2,2-Difluoro-2-(thiophen-3-yl)ethan-1-ol
CID 131546332

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol (CID 90347131) is 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol is OC(C(c1ccsc1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol?
The InChIKey is RWXXIHDHYIDDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6OS/c9-7(10,11)5(4-1-2-16-3-4)6(15)8(12,13)14/h1-3,5-6,15H.
What are the key properties of 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol?
1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol has a molecular weight of 264.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-3-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 90347131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).