4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol

C8H9F3OS — CID 135044246

IUPAC4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1cccs1
InChIInChI=1S/C8H9F3OS/c1-7(12,5-8(9,10)11)6-3-2-4-13-6/h2-4,12H,5H2,1H3
InChIKeyMGNUGAQRUDEBNM-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.91
Rot. Bonds2

About 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol

4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol (PubChem CID 135044246) has the molecular formula C8H9F3OS and a molecular weight of 210.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol
PubChem CID135044246
Molecular FormulaC8H9F3OS
Molecular Weight210.22 g/mol
Exact Mass210.03
IUPAC Name4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1cccs1
InChIInChI=1S/C8H9F3OS/c1-7(12,5-8(9,10)11)6-3-2-4-13-6/h2-4,12H,5H2,1H3
InChIKeyMGNUGAQRUDEBNM-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol (CID 135044246) is 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol is CC(O)(CC(F)(F)F)c1cccs1.
What is the InChIKey of 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol?
The InChIKey is MGNUGAQRUDEBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3OS/c1-7(12,5-8(9,10)11)6-3-2-4-13-6/h2-4,12H,5H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol?
4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol has a molecular weight of 210.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 135044246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).