2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol

C8H8ClF3OS — CID 83958283

IUPAC2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C8H8ClF3OS/c1-2-7(13,8(10,11)12)5-3-4-6(9)14-5/h3-4,13H,2H2,1H3
InChIKeyOUUOERPVUCYGJJ-UHFFFAOYSA-N
MW244.67 g/mol
LogP3.56
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol

2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol (PubChem CID 83958283) has the molecular formula C8H8ClF3OS and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
PubChem CID83958283
Molecular FormulaC8H8ClF3OS
Molecular Weight244.67 g/mol
Exact Mass243.99
IUPAC Name2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C8H8ClF3OS/c1-2-7(13,8(10,11)12)5-3-4-6(9)14-5/h3-4,13H,2H2,1H3
InChIKeyOUUOERPVUCYGJJ-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol (CID 83958283) is 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol is CCC(O)(c1ccc(Cl)s1)C(F)(F)F.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is OUUOERPVUCYGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3OS/c1-2-7(13,8(10,11)12)5-3-4-6(9)14-5/h3-4,13H,2H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol?
2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 244.67 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 83958283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).