2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol

C9H11F3OS — CID 130820362

IUPAC2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol
SMILESCCC(C)(O)c1ccsc1C(F)(F)F
InChIInChI=1S/C9H11F3OS/c1-3-8(2,13)6-4-5-14-7(6)9(10,11)12/h4-5,13H,3H2,1-2H3
InChIKeyFBZIXTKETKBRJO-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.38
Rot. Bonds2

About 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol

2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol (PubChem CID 130820362) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol
PubChem CID130820362
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol
SMILESCCC(C)(O)c1ccsc1C(F)(F)F
InChIInChI=1S/C9H11F3OS/c1-3-8(2,13)6-4-5-14-7(6)9(10,11)12/h4-5,13H,3H2,1-2H3
InChIKeyFBZIXTKETKBRJO-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol?
The IUPAC name of 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol (CID 130820362) is 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol.
What is the SMILES notation for 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol?
The canonical SMILES for 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol is CCC(C)(O)c1ccsc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol?
The InChIKey is FBZIXTKETKBRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-3-8(2,13)6-4-5-14-7(6)9(10,11)12/h4-5,13H,3H2,1-2H3.
What are the key properties of 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol?
2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol has a molecular weight of 224.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)thiophen-3-yl]butan-2-ol is sourced from PubChem (CID 130820362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).